4-{7-methylimidazo[1,2-a]pyridin-2-yl}aniline

• ChemBase ID: 252485
• Molecular Formular: C14H13N3
• Molecular Mass: 223.27312
• Monoisotopic Mass: 223.11094743
• SMILES: c12nc(cn1ccc(c2)C)c1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)c1cn2c(n1)cc(cc2)C
• InChI: InChI=1S/C14H13N3/c1-10-6-7-17-9-13(16-14(17)8-10)11-2-4-12(15)5-3-11/h2-9H,15H2,1H3
• InChIKey: ZMLUDLQZWAWHGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{7-methylimidazo[1,2-a]pyridin-2-yl}aniline
• IUPAC Traditional name: 4-{7-methylimidazo[1,2-a]pyridin-2-yl}aniline
• Synonyms: 4-(7-methylimidazo[1,2-a]pyridin-2-yl)aniline

Database IDs

• CAS Number: 64730-34-3
• MDL Number: MFCD08444349
• PubChem SID: 164308395
• PubChem CID: 16227243

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0868974
• LogD (pH = 7.4): 2.4689703
• Log P: 2.4771206
• Molar Refractivity: 70.4422 cm^3
• Polarizability: 27.208136 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 239 - 241°C
• Hydrophobicity(logP): 2.758

Product Information

• Purity: 95%