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

C14H10ClN3O2 — CID 117147677

IUPAC3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(Cc3cccc(Cl)c3)nnc12
InChIInChI=1S/C14H10ClN3O2/c15-10-4-1-3-9(7-10)8-12-16-17-13-11(14(19)20)5-2-6-18(12)13/h1-7H,8H2,(H,19,20)
InChIKeyWATRXVYWPDHMQP-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.67
Rot. Bonds3

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

3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (PubChem CID 117147677) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
PubChem CID117147677
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(Cc3cccc(Cl)c3)nnc12
InChIInChI=1S/C14H10ClN3O2/c15-10-4-1-3-9(7-10)8-12-16-17-13-11(14(19)20)5-2-6-18(12)13/h1-7H,8H2,(H,19,20)
InChIKeyWATRXVYWPDHMQP-UHFFFAOYSA-N
XLogP2.67
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117146911
8-chloro-3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393470
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147696
3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147796
8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146916
methyl 3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257476
3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367480
3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256903
3-[(3-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147680
3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058944
2-[(3-chlorophenyl)methyl]thiophene-3-carboxylic acid
CID 71775413
3-benzyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-9-carboxylic acid
CID 136756841

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (CID 117147677) is 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2c(Cc3cccc(Cl)c3)nnc12.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The InChIKey is WATRXVYWPDHMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-10-4-1-3-9(7-10)8-12-16-17-13-11(14(19)20)5-2-6-18(12)13/h1-7H,8H2,(H,19,20).
What are the key properties of 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid has a molecular weight of 287.71 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117147677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).