2-cyclopropyl-1-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 271682
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: c1(nc2c(n1C)CCNC2)C1CC1
• Canonical SMILES: Cn1c(nc2c1CCNC2)C1CC1
• InChI: InChI=1S/C10H15N3/c1-13-9-4-5-11-6-8(9)12-10(13)7-2-3-7/h7,11H,2-6H2,1H3
• InChIKey: ZWXLRNFPZISWPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-1-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 2-cyclopropyl-1-methyl-4H,5H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 2-cyclopropyl-1-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

Database IDs

• MDL Number: MFCD20391060
• PubChem SID: 164327592
• PubChem CID: 63626193

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0588002
• LogD (pH = 7.4): -0.39146155
• Log P: 0.35232168
• Molar Refractivity: 51.7727 cm^3
• Polarizability: 19.858397 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): -0.077

Product Information

• Purity: 95%