2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid

C15H12N4O2 — CID 82355587

IUPAC2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cn2c1/N=N/c1ccccc1
InChIInChI=1S/C15H12N4O2/c1-10-14(18-17-12-5-3-2-4-6-12)19-9-11(15(20)21)7-8-13(19)16-10/h2-9H,1H3,(H,20,21)/b18-17+
InChIKeyNEGBNGHXHNJCKL-ISLYRVAYSA-N
MW280.29 g/mol
LogP3.76
Rot. Bonds3

About 2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid

2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 82355587) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID82355587
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cn2c1/N=N/c1ccccc1
InChIInChI=1S/C15H12N4O2/c1-10-14(18-17-12-5-3-2-4-6-12)19-9-11(15(20)21)7-8-13(19)16-10/h2-9H,1H3,(H,20,21)/b18-17+
InChIKeyNEGBNGHXHNJCKL-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
4-phenyldiazenylbenzoic acid
CID 15276
3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid
CID 82356691
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 154321070
2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid
CID 82355458
3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82356036
3-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62390041
2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 165478989
3-(1-benzothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62387790
N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide
CID 57432320
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
4-oxo-2-[(E)-2-phenylethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531114

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid (CID 82355587) is 2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid is Cc1nc2ccc(C(=O)O)cn2c1/N=N/c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is NEGBNGHXHNJCKL-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-10-14(18-17-12-5-3-2-4-6-12)19-9-11(15(20)21)7-8-13(19)16-10/h2-9H,1H3,(H,20,21)/b18-17+.
What are the key properties of 2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid?
2-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic 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-methyl-3-phenyldiazenylimidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 82355587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).