2-(chloromethyl)imidazo[1,2-a]pyridine hydrochloride

• ChemBase ID: 64455
• Molecular Formular: C8H8Cl2N2
• Molecular Mass: 203.06852
• Monoisotopic Mass: 202.00645363
• SMILES: c1cn2c(cc1)nc(c2)CCl.Cl
• Canonical SMILES: ClCc1nc2n(c1)cccc2.Cl
• InChI: InChI=1S/C8H7ClN2.ClH/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-4,6H,5H2;1H
• InChIKey: XAYHUBRYLJFUIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)imidazo[1,2-a]pyridine hydrochloride
• IUPAC Traditional name: 2-(chloromethyl)imidazo[1,2-a]pyridine hydrochloride
• Synonyms: 2-Chloromethylimidazo[1,2-a]pyridine hydrochloride; 2-(chloromethyl)imidazo[1,2-a]pyridine hydrochloride

Database IDs

• CAS Number: 112230-20-3
• MDL Number: MFCD03094615
• PubChem SID: 162030194
• PubChem CID: 2737445

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.8960756
• LogD (pH = 7.4): 1.4143387
• Log P: 1.4282634
• Molar Refractivity: 45.2811 cm^3
• Polarizability: 16.947428 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180 - 182°C
• Hydrophobicity(logP): 1.768

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl