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

C15H13N3O3 — CID 117258087

IUPAC2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1ccccc1OCc1nc2c(C(=O)O)cccn2n1
InChIInChI=1S/C15H13N3O3/c1-10-5-2-3-7-12(10)21-9-13-16-14-11(15(19)20)6-4-8-18(14)17-13/h2-8H,9H2,1H3,(H,19,20)
InChIKeyFIDGYLWGPHZLCD-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.31
Rot. Bonds4

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

2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117258087) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID117258087
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1ccccc1OCc1nc2c(C(=O)O)cccn2n1
InChIInChI=1S/C15H13N3O3/c1-10-5-2-3-7-12(10)21-9-13-16-14-11(15(19)20)6-4-8-18(14)17-13/h2-8H,9H2,1H3,(H,19,20)
InChIKeyFIDGYLWGPHZLCD-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117258105
2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117137293
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82566740
methyl 2-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117258112
4-(benzylamino)-2-[(2-methylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 53215102
2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565550
2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565546
2-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62698186
8-chloro-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258014
methyl 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoate
CID 116989828
2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117136518
2-[(1,1-dioxothian-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117136895

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 117258087) is 2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is Cc1ccccc1OCc1nc2c(C(=O)O)cccn2n1.
What is the InChIKey of 2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is FIDGYLWGPHZLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-10-5-2-3-7-12(10)21-9-13-16-14-11(15(19)20)6-4-8-18(14)17-13/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117258087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).