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

C19H13N3O2 — CID 58073856

IUPAC2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2nc(-c3ccc(-c4ccccc4)cc3)nc12
InChIInChI=1S/C19H13N3O2/c23-19(24)16-7-4-12-22-18(16)20-17(21-22)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12H,(H,23,24)
InChIKeyIBBWGASAVKTIRZ-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.76
Rot. Bonds3

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

2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 58073856) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID58073856
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2nc(-c3ccc(-c4ccccc4)cc3)nc12
InChIInChI=1S/C19H13N3O2/c23-19(24)16-7-4-12-22-18(16)20-17(21-22)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12H,(H,23,24)
InChIKeyIBBWGASAVKTIRZ-UHFFFAOYSA-N
XLogP3.76
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 58073856) is 2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2nc(-c3ccc(-c4ccccc4)cc3)nc12.
What is the InChIKey of 2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is IBBWGASAVKTIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-19(24)16-7-4-12-22-18(16)20-17(21-22)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12H,(H,23,24).
What are the key properties of 2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 58073856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).