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

C13H8ClN3O2 — CID 28814025

IUPAC3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C13H8ClN3O2/c14-10-6-2-1-4-8(10)11-15-16-12-9(13(18)19)5-3-7-17(11)12/h1-7H,(H,18,19)
InChIKeyQAQYZRVPRVAQNL-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.75
Rot. Bonds2

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

3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (PubChem CID 28814025) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
PubChem CID28814025
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C13H8ClN3O2/c14-10-6-2-1-4-8(10)11-15-16-12-9(13(18)19)5-3-7-17(11)12/h1-7H,(H,18,19)
InChIKeyQAQYZRVPRVAQNL-UHFFFAOYSA-N
XLogP2.75
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147652
3-(2-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylic acid
CID 98022801
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074730
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074688
4-(2-chlorophenyl)furan-3-carboxylic acid
CID 117223453
3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147796
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058940
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147677
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147696
2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 23358700
8-chloro-3-(2-iodophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393487

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (CID 28814025) is 3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2c(-c3ccccc3Cl)nnc12.
What is the InChIKey of 3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The InChIKey is QAQYZRVPRVAQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-10-6-2-1-4-8(10)11-15-16-12-9(13(18)19)5-3-7-17(11)12/h1-7H,(H,18,19).
What are the key properties of 3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid has a molecular weight of 273.68 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 28814025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).