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

C14H10ClN3O3 — CID 117257654

IUPAC2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(COc3ccccc3Cl)nn12
InChIInChI=1S/C14H10ClN3O3/c15-9-4-1-2-6-11(9)21-8-12-16-13-7-3-5-10(14(19)20)18(13)17-12/h1-7H,8H2,(H,19,20)
InChIKeyJHYJDFVTGPVGPD-UHFFFAOYSA-N
MW303.70 g/mol
LogP2.66
Rot. Bonds4

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

2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 117257654) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.70 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID117257654
Molecular FormulaC14H10ClN3O3
Molecular Weight303.70 g/mol
Exact Mass303.04
IUPAC Name2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(COc3ccccc3Cl)nn12
InChIInChI=1S/C14H10ClN3O3/c15-9-4-1-2-6-11(9)21-8-12-16-13-7-3-5-10(14(19)20)18(13)17-12/h1-7H,8H2,(H,19,20)
InChIKeyJHYJDFVTGPVGPD-UHFFFAOYSA-N
XLogP2.66
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117257671
5-chloro-2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117257566
methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255815
3-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255244
2-[(2-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187272
4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine
CID 82169647
[5-[(2-chlorophenoxy)methyl]-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82481637
1-cyclopropyl-2-[5-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
CID 58374828
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618765
2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid
CID 117187269
2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566921

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 117257654) is 2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is O=C(O)c1cccc2nc(COc3ccccc3Cl)nn12.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is JHYJDFVTGPVGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c15-9-4-1-2-6-11(9)21-8-12-16-13-7-3-5-10(14(19)20)18(13)17-12/h1-7H,8H2,(H,19,20).
What are the key properties of 2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 303.70 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117257654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).