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

• ChemBase ID: 241543
• Molecular Formular: C10H16ClN3
• Molecular Mass: 213.70714
• Monoisotopic Mass: 213.10327521
• SMILES: c1(nc2c(n1C)CCNC2)C1CC1.Cl
• Canonical SMILES: Cn1c(nc2c1CCNC2)C1CC1.Cl
• InChI: InChI=1S/C10H15N3.ClH/c1-13-9-4-5-11-6-8(9)12-10(13)7-2-3-7;/h7,11H,2-6H2,1H3;1H
• InChIKey: YRXLOXXXLAEPSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22565880
• PubChem SID: 164297453
• PubChem CID: 71756811

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

• Hydrophobicity(logP): -0.077

Product Information

• Purity: 95%