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

• ChemBase ID: 265651
• Molecular Formular: C9H13N3
• Molecular Mass: 163.21962
• Monoisotopic Mass: 163.11094743
• SMILES: n1(c2c(nc1)CNCC2)C1CC1
• Canonical SMILES: C1NCc2c(C1)n(cn2)C1CC1
• InChI: InChI=1S/C9H13N3/c1-2-7(1)12-6-11-8-5-10-4-3-9(8)12/h6-7,10H,1-5H2
• InChIKey: IJAJWDVNQRQBJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19982329
• PubChem SID: 164321561
• PubChem CID: 47002848

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3619115
• LogD (pH = 7.4): -0.8002594
• Log P: -0.08497472
• Molar Refractivity: 47.144 cm^3
• Polarizability: 18.095316 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.206

Product Information

• Purity: 95%