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'}

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Related Compounds

2-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid
CID 82355541
3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355477
2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 82355587
7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355529
[3-[(2-methoxyphenyl)diazenyl]-2-methylimidazo[1,2-a]pyridin-7-yl]methanol
CID 82355644
2-methyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 965390
1,3,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxylic acid
CID 112545398
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
methyl N-(2-methylimidazo[1,2-a]pyridin-3-yl)carbamate
CID 83832700
2-(methylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 84777303
[2-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridin-8-yl]methanol
CID 82355672
2-methyl-N-[(E)-1-phenylethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CID 6112087

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).