4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid

C14H11N3O2 — CID 117127908

IUPAC4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
SMILESCc1ccc2nc(-c3ccc(C(=O)O)cc3)nn2c1
InChIInChI=1S/C14H11N3O2/c1-9-2-7-12-15-13(16-17(12)8-9)10-3-5-11(6-4-10)14(18)19/h2-8H,1H3,(H,18,19)
InChIKeyDQQWJQGURXTLED-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.40
Rot. Bonds2

About 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid

4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid (PubChem CID 117127908) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
PubChem CID117127908
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
SMILESCc1ccc2nc(-c3ccc(C(=O)O)cc3)nn2c1
InChIInChI=1S/C14H11N3O2/c1-9-2-7-12-15-13(16-17(12)8-9)10-3-5-11(6-4-10)14(18)19/h2-8H,1H3,(H,18,19)
InChIKeyDQQWJQGURXTLED-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

2-(4-tert-butylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566407
2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566386
4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127909
3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenol
CID 82566380
2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid
CID 83866305
3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 82566376
methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567225
alumane;4-methylbenzoic acid
CID 173230362
indigane;4-methylbenzoic acid
CID 173230327
CID 158355468
CID 158355468
sodium 4-methylbenzoic acid
CID 164511663
2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 116989598

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid?
The IUPAC name of 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid (CID 117127908) is 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid.
What is the SMILES notation for 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid?
The canonical SMILES for 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid is Cc1ccc2nc(-c3ccc(C(=O)O)cc3)nn2c1.
What is the InChIKey of 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid?
The InChIKey is DQQWJQGURXTLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-2-7-12-15-13(16-17(12)8-9)10-3-5-11(6-4-10)14(18)19/h2-8H,1H3,(H,18,19).
What are the key properties of 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid?
4-(6-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-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid is sourced from PubChem (CID 117127908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).