2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C13H9N3O2 — CID 82565550

IUPAC2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2nc(-c3ccccc3)nc12
InChIInChI=1S/C13H9N3O2/c17-13(18)10-7-4-8-16-12(10)14-11(15-16)9-5-2-1-3-6-9/h1-8H,(H,17,18)
InChIKeyTVCSOAAKNYZRCP-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.09
Rot. Bonds2

About 2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 82565550) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID82565550
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2nc(-c3ccccc3)nc12
InChIInChI=1S/C13H9N3O2/c17-13(18)10-7-4-8-16-12(10)14-11(15-16)9-5-2-1-3-6-9/h1-8H,(H,17,18)
InChIKeyTVCSOAAKNYZRCP-UHFFFAOYSA-N
XLogP2.09
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565551
2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82566733
2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565554
2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117137147
2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565546
5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565609
3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127903
2-[2-(difluoromethyl)-4-fluorophenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;ethane
CID 143902918
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82566740
2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117135997
2-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 173339636
2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117258087

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 82565550) is 2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2nc(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is TVCSOAAKNYZRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(18)10-7-4-8-16-12(10)14-11(15-16)9-5-2-1-3-6-9/h1-8H,(H,17,18).
What are the key properties of 2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82565550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).