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5-Chloroimidazo[1,2-a]pyridine-2-carboxylic acid | C8H5N2O2Cl - Chemryt

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

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

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100-40-3nonenonehighC8H12108.183-9.1684
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
1000-87-9nonenonenoneC7H1296.1723-2.6557
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
100-68-5nonenonenoneC7H8S124.207-1.735
100-17-4nonenonenoneC7H7NO3153.137-7.2945
10-13-2009nonenonenoneC15H14O5274.271-1.4702
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
1000018-07-4nonenonenoneC14H13N3O239.2771.9531
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
1000000-13-4highhighhighC21H28O12472.441-0.17986
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100-18-5nonenonenoneC12H18162.275-2.5088
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
100-09-4nonenonenoneC8H8O3152.149-1.597
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
1000-00-6nonenonehighC10H26OSi2218.487-62.76
100-87-8nonenonenoneC7H8O3S172.204-10.732
100-64-1highhighnoneC6H11NO113.159-6.4182
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895
100-46-9nonenonenoneC7H9N107.155-2.0712
1000269-66-8nonenonenoneC12H20N4220.3190.5423
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
1000269-65-7nonenonenoneC12H19N3205.3040.25629
100020-83-5nonenonelowC7H11O3B153.972-20.814
100004-78-2nonenonenoneC16H11NO2249.268-1.5746
1000269-67-9nonenonenoneC13H22N4234.3460.99367
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
100005-79-6nonenonenoneC12H9NS199.276-2.6106
100-71-0nonenonenoneC7H9N107.155-2.2725
100012-67-7highhighhighC12H12O5236.222-19.846
10002-97-8nonenonenoneC18H30O2278.4340.24997
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
100-69-6nonenonenoneC7H7N105.14-4.4598
1000-63-1nonenonehighC8H18O130.23-19.78
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
100017-22-9highhighhighC5H8O2100.117-8.1063
100-51-6highhighhighC7H8O108.14-2.2456
10003-67-5nonenonenoneC33H62O6554.849-22.973
10001-13-5nonenonehighC12H22N2O210.323.9217
100-61-8highnonenoneC7H9N107.155-0.23765
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
100-74-3highnonehighC6H13NO115.1753.7593
100009-23-2nonenonehighC17H22226.362-9.7346
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
100-19-6nonenonenoneC8H7NO3165.148-7.0365
100-62-9lownonenoneC7H7N105.14-1.1924
1000339-32-1nonenonenoneC11H14NF179.2370.6275