4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid

C13H8ClN3O2 — CID 117158556

IUPAC4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nnc3cc(Cl)ccn23)cc1
InChIInChI=1S/C13H8ClN3O2/c14-10-5-6-17-11(7-10)15-16-12(17)8-1-3-9(4-2-8)13(18)19/h1-7H,(H,18,19)
InChIKeyXERCXRWLHQNSEI-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.75
Rot. Bonds2

About 4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid

4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid (PubChem CID 117158556) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
PubChem CID117158556
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nnc3cc(Cl)ccn23)cc1
InChIInChI=1S/C13H8ClN3O2/c14-10-5-6-17-11(7-10)15-16-12(17)8-1-3-9(4-2-8)13(18)19/h1-7H,(H,18,19)
InChIKeyXERCXRWLHQNSEI-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

4-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158557
3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 82380497
4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158552
3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145311
3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 82878738
3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 95112953
7-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 83679024
[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53196873
7-chloroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 55265824
3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158435
4-(6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)benzoic acid
CID 156503118
3-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 63211830

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid?
The IUPAC name of 4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid (CID 117158556) is 4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid?
The canonical SMILES for 4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid is O=C(O)c1ccc(-c2nnc3cc(Cl)ccn23)cc1.
What is the InChIKey of 4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid?
The InChIKey is XERCXRWLHQNSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-10-5-6-17-11(7-10)15-16-12(17)8-1-3-9(4-2-8)13(18)19/h1-7H,(H,18,19).
What are the key properties of 4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid?
4-(7-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 4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 117158556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).