4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid

C14H11N3O2 — CID 117127909

IUPAC4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
SMILESCc1cccc2nc(-c3ccc(C(=O)O)cc3)nn12
InChIInChI=1S/C14H11N3O2/c1-9-3-2-4-12-15-13(16-17(9)12)10-5-7-11(8-6-10)14(18)19/h2-8H,1H3,(H,18,19)
InChIKeyNIPWOOPQQCOGHE-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.40
Rot. Bonds2

About 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid

4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid (PubChem CID 117127909) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
PubChem CID117127909
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
SMILESCc1cccc2nc(-c3ccc(C(=O)O)cc3)nn12
InChIInChI=1S/C14H11N3O2/c1-9-3-2-4-12-15-13(16-17(9)12)10-5-7-11(8-6-10)14(18)19/h2-8H,1H3,(H,18,19)
InChIKeyNIPWOOPQQCOGHE-UHFFFAOYSA-N
XLogP2.40
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117133001
4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127908
2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566924
2-methyl-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 83966915
2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566921
5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566432
2-(3-bromo-5-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566480
5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565609
5-methyl-2-[4-[4-(1,2,4-triazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 11653165
methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82567352
4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid
CID 159758210
5-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde
CID 83873006

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid?
The IUPAC name of 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid (CID 117127909) is 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid.
What is the SMILES notation for 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid?
The canonical SMILES for 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid is Cc1cccc2nc(-c3ccc(C(=O)O)cc3)nn12.
What is the InChIKey of 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid?
The InChIKey is NIPWOOPQQCOGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-3-2-4-12-15-13(16-17(9)12)10-5-7-11(8-6-10)14(18)19/h2-8H,1H3,(H,18,19).
What are the key properties of 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid?
4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid has a molecular weight of 253.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid is sourced from PubChem (CID 117127909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).