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

• ChemBase ID: 282675
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: c1(nc2c(n1C)ccnc2)C1CC1
• Canonical SMILES: Cn1c(nc2c1ccnc2)C1CC1
• InChI: InChI=1S/C10H11N3/c1-13-9-4-5-11-6-8(9)12-10(13)7-2-3-7/h4-7H,2-3H2,1H3
• InChIKey: AXECCQUPXBTGAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20441644
• PubChem SID: 180668206
• PubChem CID: 54595464

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.164935
• LogD (pH = 7.4): 1.1683252
• Log P: 1.1683686
• Molar Refractivity: 49.5482 cm^3
• Polarizability: 20.251642 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100 - 102°C
• Hydrophobicity(logP): 1.198

Product Information

• Purity: 95%