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

C13H8BrN3O2 — CID 117158557

IUPAC4-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nnc3cc(Br)ccn23)cc1
InChIInChI=1S/C13H8BrN3O2/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)
InChIKeyPMHAWCJAHIRLLN-UHFFFAOYSA-N
MW318.13 g/mol
LogP2.86
Rot. Bonds2

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

4-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid (PubChem CID 117158557) has the molecular formula C13H8BrN3O2 and a molecular weight of 318.13 g/mol. Its IUPAC name is 4-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
PubChem CID117158557
Molecular FormulaC13H8BrN3O2
Molecular Weight318.13 g/mol
Exact Mass316.98
IUPAC Name4-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nnc3cc(Br)ccn23)cc1
InChIInChI=1S/C13H8BrN3O2/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)
InChIKeyPMHAWCJAHIRLLN-UHFFFAOYSA-N
XLogP2.86
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158556
3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 82380497
3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145311
7-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid
CID 166609430
lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 170633995
7-bromo-3-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744919
3-(2,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 114375488
4-(6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)benzoic acid
CID 156503118
methyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117145359
3-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-methylazetidine-1-carboxylic acid
CID 163216472
N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 95112957
4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158552

Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid?
The IUPAC name of 4-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid (CID 117158557) is 4-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 4-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid?
The canonical SMILES for 4-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid is O=C(O)c1ccc(-c2nnc3cc(Br)ccn23)cc1.
What is the InChIKey of 4-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid?
The InChIKey is PMHAWCJAHIRLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2/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-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid?
4-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid has a molecular weight of 318.13 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 117158557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).