Chemical : 5-Chloroimidazo[1,2-a]pyridine-2-carboxylic acid
Casrn : 1000017-93-5 |
MolName : 5-Chloroimidazo[1,2-a]pyridine-2-carboxylic acid |
MolecularFormula : C8H5N2O2Cl |
Smiles : OC(c1cn2c(Cl)cccc2n1)=O |
InChI : InChI=1S/C8H5ClN2O2/c9-6-2-1-3-7-10-5(8(12)13)4-11(6)7/h1-4H,(H,12,13) |
InChIK : TVUHAHMCORHJBN-UHFFFAOYSA-N |
CanonicalSyTyLFy : ad6d73908227c8e0 |
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 : |
Shape Index : 0.53846 |
Molecula Flexibility : 0.18874 |
Molecular Complexity : 0.74577 |
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 |
---|---|---|---|---|---|---|
1000018-10-9 | none | none | none | C7H8N2OBr2 | 295.962 | -5.2121 |
100-15-2 | none | high | none | C7H8N2O2 | 152.153 | -5.7806 |
100-47-0 | high | none | high | C7H5N | 103.124 | -6.0498 |
1000068-24-5 | none | none | low | C13H15NO4BCl | 295.529 | -44.638 |
100008-89-7 | none | none | none | C11H10N4O3 | 246.225 | -1.8465 |
10002-97-8 | none | none | none | C18H30O2 | 278.434 | 0.24997 |
100-22-1 | high | high | none | C10H16N2 | 164.251 | 0.40939 |
100-82-3 | none | none | none | C7H8NF | 125.146 | -3.4112 |
100-10-7 | none | high | high | C9H11NO | 149.192 | -1.8715 |
100020-95-9 | high | none | low | C12H17OCl | 212.719 | -11.962 |
10002-37-6 | none | none | none | C9H16N2O | 168.239 | -3.8085 |
100-68-5 | none | none | none | C7H8S | 124.207 | -1.735 |
100005-01-4 | none | none | high | C8H21BrSSi2 | 285.397 | -52.815 |
100-09-4 | none | none | none | C8H8O3 | 152.149 | -1.597 |
1000068-65-4 | none | none | none | C13H15NO4BF | 279.074 | -46.077 |
100-91-4 | none | none | high | C17H25NO3 | 291.39 | 3.3475 |
1000289-40-6 | none | none | none | C7H4N2Br2S | 307.997 | -2.2608 |
100-56-1 | high | low | low | C6H5ClHg | 313.149 | -2.3575 |
10003-69-7 | none | none | none | C10H14O8S4 | 390.477 | 0.2775 |
100-23-2 | none | high | none | C8H10N2O2 | 166.179 | -5.0759 |
100031-76-3 | none | none | none | C30H44NO8P | 577.652 | -46.719 |
10003-95-9 | none | none | none | C10H18N2O17P4 | 562.146 | -25.989 |
1000339-52-5 | none | none | none | C7H3N2O2F | 166.111 | -12.761 |
100032-79-9 | none | high | none | C6H6N3O2Br.HCl | 232.037 | -11.653 |
100001-06-7 | none | none | none | I.C20H28NO | 298.448 | -2.3411 |
100-46-9 | none | none | none | C7H9N | 107.155 | -2.0712 |
100-49-2 | none | none | none | C7H14O | 114.187 | -9.3679 |
1000-82-4 | low | high | high | C2H6N2O2 | 90.0816 | 0.41759 |
100004-79-3 | none | none | none | C13H11NO2 | 213.235 | -1.5864 |
100007-87-2 | none | none | none | C16H9N2OBr | 325.164 | 0.88714 |
100031-92-3 | none | none | high | C10H30OSi4 | 278.691 | -53.619 |
100-39-0 | high | high | none | C7H7Br | 171.037 | -7.8241 |
100-28-7 | high | low | low | C7H4N2O3 | 164.12 | -21.552 |
100005-12-7 | none | none | low | C11H10NCl | 191.66 | 2.2675 |
100007-67-8 | high | none | low | C5H7OClF2 | 156.559 | -12.702 |
100004-92-0 | none | none | none | C16H11NO2 | 249.268 | -1.5746 |
100008-36-4 | none | none | none | C17H22O2 | 258.36 | -5.6379 |
100010-02-4 | none | none | none | C14H23NO | 221.343 | -6.1109 |
100021-84-9 | high | high | high | H3O4P.C18H36O2.C2H8N2 | 284.482 | -25.216 |
1000-22-2 | low | high | low | C6H14O2FPS | 200.213 | -11.052 |
100-81-2 | none | none | none | C8H11N | 121.182 | -2.1005 |
100-45-8 | none | none | high | C7H9N | 107.155 | -10.018 |
100-75-4 | high | high | high | C5H10N2O | 114.147 | -0.86877 |
1000339-36-5 | none | none | none | C16H19NO3S | 305.397 | -3.4866 |
100013-07-8 | none | none | none | C18H32B.Li | 259.263 | -11.013 |
1000018-44-9 | none | none | none | C13H16N2O5 | 280.279 | -2.3885 |
1000-78-8 | high | low | none | C11H24N2 | 184.326 | -10.254 |
10001-51-1 | none | none | none | C9H18N2O | 170.255 | 5.9677 |
1000120-98-8 | high | none | high | C230H305N67O122P19S19 | 7158.06 | -20.81 |
100-14-1 | high | high | low | C7H6NO2Cl | 171.583 | -7.5061 |
10000-20-1 | none | low | high | C12H32N2Si2 | 260.572 | -64.51 |
1000160-97-3 | none | none | none | C24H28N2O3.C11H8O3 | 392.497 | 1.9926 |
100-94-7 | none | none | none | Cl.C16H20N | 226.342 | -1.9788 |
100-44-7 | high | high | none | C7H7Cl | 126.586 | -2.365 |
100021-79-2 | none | high | high | C16H32O2.C2H8N2 | 256.428 | -25.216 |
1000339-13-8 | low | none | low | C7H10NO4ClS | 239.678 | -21.883 |
1000-05-1 | none | none | high | C8H26O3Si4 | 282.635 | -83.299 |
100-25-4 | none | none | none | C6H4N2O4 | 168.108 | -7.74 |
1000018-58-5 | none | none | none | C6H4NBr2Cl | 285.366 | -3.6 |
1000-68-6 | none | none | none | C3H9NO3S2 | 171.24 | -3.0843 |