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

• ChemBase ID: 244479
• Molecular Formular: C9H14ClN3
• Molecular Mass: 199.68056
• Monoisotopic Mass: 199.08762514
• SMILES: n1(c2c(nc1)CNCC2)C1CC1.Cl
• Canonical SMILES: C1NCc2c(C1)n(cn2)C1CC1.Cl
• InChI: InChI=1S/C9H13N3.ClH/c1-2-7(1)12-6-11-8-5-10-4-3-9(8)12;/h6-7,10H,1-5H2;1H
• InChIKey: XVOGIEOQOVWUCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164300389
• PubChem CID: 71757514

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

• Melting Point: 208 - 210°C
• Hydrophobicity(logP): -0.206

Product Information

• Purity: 95%