2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C15H13N3O3 — CID 117137293

IUPAC2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCOc1cccc(Cc2nc3c(C(=O)O)cccn3n2)c1
InChIInChI=1S/C15H13N3O3/c1-21-11-5-2-4-10(8-11)9-13-16-14-12(15(19)20)6-3-7-18(14)17-13/h2-8H,9H2,1H3,(H,19,20)
InChIKeyYFCVXPBHXQGKLW-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.03
Rot. Bonds4

About 2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117137293) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID117137293
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCOc1cccc(Cc2nc3c(C(=O)O)cccn3n2)c1
InChIInChI=1S/C15H13N3O3/c1-21-11-5-2-4-10(8-11)9-13-16-14-12(15(19)20)6-3-7-18(14)17-13/h2-8H,9H2,1H3,(H,19,20)
InChIKeyYFCVXPBHXQGKLW-UHFFFAOYSA-N
XLogP2.03
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-bromo-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137276
8-bromo-2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137491
2-[(4-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566284
2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117258087
6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130393
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
3-[(3-methoxyphenyl)methylamino]-2-methylbenzoic acid
CID 17059607
7-methoxy-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134900
2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115083847
4-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82480528
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 61272827
2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117137210

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 117137293) is 2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is COc1cccc(Cc2nc3c(C(=O)O)cccn3n2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is YFCVXPBHXQGKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-21-11-5-2-4-10(8-11)9-13-16-14-12(15(19)20)6-3-7-18(14)17-13/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117137293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).