2-(4-nitrophenyl)imidazo[1,2-a]pyridine

• ChemBase ID: 78657
• Molecular Formular: C13H9N3O2
• Molecular Mass: 239.22946
• Monoisotopic Mass: 239.06947654
• SMILES: n1c2n(cccc2)cc1c1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(cc1)c1nc2n(c1)cccc2
• InChI: InChI=1S/C13H9N3O2/c17-16(18)11-6-4-10(5-7-11)12-9-15-8-2-1-3-13(15)14-12/h1-9H
• InChIKey: SNBCSKCONKUZBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-nitrophenyl)imidazo[1,2-a]pyridine
• IUPAC Traditional name: 2-(4-nitrophenyl)imidazo[1,2-a]pyridine
• Synonyms: 2-(4-Nitrophenyl)imidazo[1,2-a]pyridine

Database IDs

• CAS Number: 3323-26-0
• MDL Number: MFCD00276341
• PubChem SID: 162043420
• PubChem CID: 201134

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.372132
• LogD (pH = 7.4): 2.7253206
• Log P: 2.7326093
• Molar Refractivity: 68.0253 cm^3
• Polarizability: 26.091734 Å^3
• Polar Surface Area: 63.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.053

Product Information

• Purity: 95%