3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid

C13H8ClN3O2 — CID 117158435

IUPAC3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2nnc3ccc(Cl)cn23)c1
InChIInChI=1S/C13H8ClN3O2/c14-10-4-5-11-15-16-12(17(11)7-10)8-2-1-3-9(6-8)13(18)19/h1-7H,(H,18,19)
InChIKeyANQDHOUQOGOQAP-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.75
Rot. Bonds2

About 3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid

3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid (PubChem CID 117158435) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
PubChem CID117158435
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2nnc3ccc(Cl)cn23)c1
InChIInChI=1S/C13H8ClN3O2/c14-10-4-5-11-15-16-12(17(11)7-10)8-2-1-3-9(6-8)13(18)19/h1-7H,(H,18,19)
InChIKeyANQDHOUQOGOQAP-UHFFFAOYSA-N
XLogP2.75
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 82878738
6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139760
3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 63211830
3-(4-chlorophenyl)benzoic acid
CID 2757419
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62388963
3-(4,5-dimethyl-1,2,4-triazol-3-yl)benzoic acid
CID 62926892
3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid
CID 39164223
3-[3-(3-carboxyphenyl)-6-chloroquinoxalin-2-yl]benzoic acid
CID 139724557
3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134788032
3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915206
4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158556
3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 136789864

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid?
The IUPAC name of 3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid (CID 117158435) is 3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid?
The canonical SMILES for 3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid is O=C(O)c1cccc(-c2nnc3ccc(Cl)cn23)c1.
What is the InChIKey of 3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid?
The InChIKey is ANQDHOUQOGOQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-10-4-5-11-15-16-12(17(11)7-10)8-2-1-3-9(6-8)13(18)19/h1-7H,(H,18,19).
What are the key properties of 3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid?
3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid has a molecular weight of 273.68 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 117158435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).