2-(2-bromoethyl)-6-methylpyridine

• ChemBase ID: 308449
• Molecular Formular: C8H10BrN
• Molecular Mass: 200.0757
• Monoisotopic Mass: 198.99966133
• SMILES: n1c(CCBr)cccc1C
• Canonical SMILES: Cc1cccc(n1)CCBr
• InChI: InChI=1S/C8H10BrN/c1-7-3-2-4-8(10-7)5-6-9/h2-4H,5-6H2,1H3
• InChIKey: NPQGTEWFJXQOBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromoethyl)-6-methylpyridine
• IUPAC Traditional name: 2-(2-bromoethyl)-6-methylpyridine
• Synonyms: 2-(2-bromoethyl)-6-methylpyridine

Database IDs

• CAS Number: 856834-88-3
• MDL Number: MFCD04038498

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2322468
• LogD (pH = 7.4): 1.9524862
• Log P: 1.9781655
• Molar Refractivity: 45.5202 cm^3
• Polarizability: 17.476395 Å^3
• Polar Surface Area: 12.89 Å^2