2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid

C15H12N4O2 — CID 82355458

IUPAC2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid
SMILESCc1nc2ccccn2c1/N=N/c1ccccc1C(=O)O
InChIInChI=1S/C15H12N4O2/c1-10-14(19-9-5-4-8-13(19)16-10)18-17-12-7-3-2-6-11(12)15(20)21/h2-9H,1H3,(H,20,21)/b18-17+
InChIKeyAWSHIOOMXWZHGQ-ISLYRVAYSA-N
MW280.29 g/mol
LogP3.76
Rot. Bonds3

About 2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid

2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid (PubChem CID 82355458) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid
PubChem CID82355458
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid
SMILESCc1nc2ccccn2c1/N=N/c1ccccc1C(=O)O
InChIInChI=1S/C15H12N4O2/c1-10-14(19-9-5-4-8-13(19)16-10)18-17-12-7-3-2-6-11(12)15(20)21/h2-9H,1H3,(H,20,21)/b18-17+
InChIKeyAWSHIOOMXWZHGQ-ISLYRVAYSA-N
XLogP3.76
TPSA79.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid?
The IUPAC name of 2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid (CID 82355458) is 2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid.
What is the SMILES notation for 2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid?
The canonical SMILES for 2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid is Cc1nc2ccccn2c1/N=N/c1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid?
The InChIKey is AWSHIOOMXWZHGQ-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-10-14(19-9-5-4-8-13(19)16-10)18-17-12-7-3-2-6-11(12)15(20)21/h2-9H,1H3,(H,20,21)/b18-17+.
What are the key properties of 2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid?
2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid has a molecular weight of 280.29 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid is sourced from PubChem (CID 82355458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).