Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

1000017 93 5 | Cheminformatics

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
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
100-47-0highnonehighC7H5N103.124-6.0498
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465
10002-97-8nonenonenoneC18H30O2278.4340.24997
100-22-1highhighnoneC10H16N2164.2510.40939
100-82-3nonenonenoneC7H8NF125.146-3.4112
100-10-7nonehighhighC9H11NO149.192-1.8715
100020-95-9highnonelowC12H17OCl212.719-11.962
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
100-68-5nonenonenoneC7H8S124.207-1.735
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
100-09-4nonenonenoneC8H8O3152.149-1.597
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
100-91-4nonenonehighC17H25NO3291.393.3475
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
100-56-1highlowlowC6H5ClHg313.149-2.3575
10003-69-7nonenonenoneC10H14O8S4390.4770.2775
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
100-46-9nonenonenoneC7H9N107.155-2.0712
100-49-2nonenonenoneC7H14O114.187-9.3679
1000-82-4lowhighhighC2H6N2O290.08160.41759
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714
100031-92-3nonenonehighC10H30OSi4278.691-53.619
100-39-0highhighnoneC7H7Br171.037-7.8241
100-28-7highlowlowC7H4N2O3164.12-21.552
100005-12-7nonenonelowC11H10NCl191.662.2675
100007-67-8highnonelowC5H7OClF2156.559-12.702
100004-92-0nonenonenoneC16H11NO2249.268-1.5746
100008-36-4nonenonenoneC17H22O2258.36-5.6379
100010-02-4nonenonenoneC14H23NO221.343-6.1109
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
100-81-2nonenonenoneC8H11N121.182-2.1005
100-45-8nonenonehighC7H9N107.155-10.018
100-75-4highhighhighC5H10N2O114.147-0.86877
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
100013-07-8nonenonenoneC18H32B.Li259.263-11.013
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885
1000-78-8highlownoneC11H24N2184.326-10.254
10001-51-1nonenonenoneC9H18N2O170.2555.9677
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
100-44-7highhighnoneC7H7Cl126.586-2.365
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
100-25-4nonenonenoneC6H4N2O4168.108-7.74
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843