Chemical : 3-Chloroimidazo[1,2-a]pyridine-2-carboxylic acid
Casrn : 1000017-94-6 |
MolName : 3-Chloroimidazo[1,2-a]pyridine-2-carboxylic acid |
MolecularFormula : C8H5N2O2Cl |
Smiles : OC(c(nc1n2cccc1)c2Cl)=O |
InChI : InChI=1S/C8H5ClN2O2/c9-7-6(8(12)13)10-5-3-1-2-4-11(5)7/h1-4H,(H,12,13) |
InChIK : JBQOFBOMIUELMB-UHFFFAOYSA-N |
CanonicalSyTyLFy : 9b08540b96a8087c |
TotalMolweight : 196.593 |
Molweight : 196.593 |
MonoisotopicMass : 196.003955 |
CLogP : 0.6742 |
CLogS : -3.433 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 136.79 |
Relative PSA : 0.32941 |
PolarSurfaceArea : 54.6 |
Druglikeness : 2.9136 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : 3-halo-enone |
Shape Index : 0.53846 |
Molecula Flexibility : 0.18431 |
Molecular Complexity : 0.7569 |
Fragments : 1 |
Non HAtoms : 13 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 1 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 9 |
Sp3Atoms : 1 |
Aromatic Nitrogens : 2 |
BasicNitrogens : 1 |
AcidicOxygens : 1 |
StereoCon : |
CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
---|---|---|---|---|---|---|
100012-49-5 | none | none | none | C10H2O4Br4 | 505.738 | -8.4981 |
1000-84-6 | none | none | high | C4H9NO | 87.1215 | -6.3779 |
100010-21-7 | none | none | none | C14H21NO | 219.327 | -4.2999 |
100007-67-8 | high | none | low | C5H7OClF2 | 156.559 | -12.702 |
10000-42-7 | high | high | low | C20H18N4O3 | 362.388 | -5.7793 |
1000296-71-8 | none | none | high | C19H27NO8S3 | 493.62 | -2.9952 |
100-12-9 | none | none | none | C8H9NO2 | 151.164 | -7.7443 |
100004-93-1 | none | high | none | C16H11NO2 | 249.268 | -1.5746 |
100021-79-2 | none | high | high | C16H32O2.C2H8N2 | 256.428 | -25.216 |
10001-82-8 | none | none | none | C24H26N4O5S | 482.559 | 9.4242 |
100-04-9 | none | high | none | Cl.C8H10N3 | 148.188 | -2.0275 |
100-25-4 | none | none | none | C6H4N2O4 | 168.108 | -7.74 |
100032-79-9 | none | high | none | C6H6N3O2Br.HCl | 232.037 | -11.653 |
1000339-54-7 | none | none | none | C9H7O2F3 | 204.147 | -11.176 |
100-58-3 | none | none | none | Br.C6H5Mg | 101.411 | -2.3575 |
100009-23-2 | none | none | high | C17H22 | 226.362 | -9.7346 |
1000339-31-0 | none | none | high | C12H16NCl | 209.719 | 0.65299 |
1000-83-5 | low | high | high | C2H6N2OS | 106.149 | -2.264 |
1000025-93-3 | none | none | none | C20H17NO4 | 335.358 | -1.6731 |
1000160-97-3 | none | none | none | C24H28N2O3.C11H8O3 | 392.497 | 1.9926 |
1000-16-4 | none | none | none | C13H30NO3P | 279.359 | -34.244 |
100021-84-9 | high | high | high | H3O4P.C18H36O2.C2H8N2 | 284.482 | -25.216 |
100-99-2 | none | none | low | C12H27Al | 198.328 | -22.009 |
100-15-2 | none | high | none | C7H8N2O2 | 152.153 | -5.7806 |
1000010-11-6 | none | none | none | C28H44N2O2 | 440.669 | -21.689 |
1000304-40-4 | none | none | none | C11H17NO | 179.262 | 2.2651 |
100-23-2 | none | high | none | C8H10N2O2 | 166.179 | -5.0759 |
100008-89-7 | none | none | none | C11H10N4O3 | 246.225 | -1.8465 |
1000171-05-0 | none | none | none | C27H37O3P | 440.562 | -24.592 |
1000-30-2 | none | none | high | C9H16O | 140.225 | -7.4662 |
100009-88-9 | none | none | none | C18H45N7 | 359.604 | -4.1108 |
100-39-0 | high | high | none | C7H7Br | 171.037 | -7.8241 |
10-31-2001 | none | none | none | C21H28NO6P | 421.428 | -10.542 |
1000-82-4 | low | high | high | C2H6N2O2 | 90.0816 | 0.41759 |
1000289-40-6 | none | none | none | C7H4N2Br2S | 307.997 | -2.2608 |
100-46-9 | none | none | none | C7H9N | 107.155 | -2.0712 |
1000018-13-2 | none | none | none | C11H14NO2Br | 272.141 | -5.4951 |
100007-40-7 | none | none | none | C31H42N4O7 | 582.695 | -0.42167 |
100-38-9 | none | none | high | C6H15NS | 133.258 | 0.17671 |
1000-36-8 | none | none | none | C11H25O3P | 236.29 | -27.011 |
10001-51-1 | none | none | none | C9H18N2O | 170.255 | 5.9677 |
100-22-1 | high | high | none | C10H16N2 | 164.251 | 0.40939 |
1000339-45-6 | none | none | high | C8H14O2F2 | 180.193 | -28.199 |
100010-99-9 | none | none | none | C11H24O2 | 188.31 | -23.185 |
100-29-8 | none | none | none | C8H9NO3 | 167.163 | -8.928 |
1000018-49-4 | none | none | none | C14H19NO5S | 313.373 | 2.5797 |
10001-13-5 | none | none | high | C12H22N2O | 210.32 | 3.9217 |
100-91-4 | none | none | high | C17H25NO3 | 291.39 | 3.3475 |
100-40-3 | none | none | high | C8H12 | 108.183 | -9.1684 |
100002-29-7 | none | none | none | C12H18N2O3 | 238.286 | 2.8956 |
1000339-27-4 | none | none | none | C14H8N3O3Br | 346.14 | -5.8142 |
1000-78-8 | high | low | none | C11H24N2 | 184.326 | -10.254 |
1000018-06-3 | none | none | none | C8H8N3Br | 226.077 | 0.34749 |
100-86-7 | none | none | none | C10H14O | 150.22 | -2.4187 |
100-16-3 | low | high | none | C6H7N3O2 | 153.141 | -9.8627 |
100017-22-9 | high | high | high | C5H8O2 | 100.117 | -8.1063 |
100-70-9 | none | none | none | C6H4N2 | 104.112 | -6.0498 |
1000018-48-3 | none | none | none | C12H15NO4S | 269.32 | 1.5148 |
100-82-3 | none | none | none | C7H8NF | 125.146 | -3.4112 |
100008-90-0 | none | none | none | C12H11N3O3 | 245.237 | -1.9187 |