2-bromo-6-(propan-2-yl)pyridine

• ChemBase ID: 309167
• Molecular Formular: C8H10BrN
• Molecular Mass: 200.0757
• Monoisotopic Mass: 198.99966133
• SMILES: n1c(C(C)C)cccc1Br
• Canonical SMILES: Brc1cccc(n1)C(C)C
• InChI: InChI=1S/C8H10BrN/c1-6(2)7-4-3-5-8(9)10-7/h3-6H,1-2H3
• InChIKey: GNBUFPXDJYBELS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(propan-2-yl)pyridine
• IUPAC Traditional name: 2-bromo-6-isopropylpyridine
• Synonyms: 2-bromo-6-isopropylpyridine

Database IDs

• CAS Number: 1037223-35-0
• MDL Number: MFCD11223220

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1046422
• LogD (pH = 7.4): 3.1047392
• Log P: 3.1047404
• Molar Refractivity: 46.159 cm^3
• Polarizability: 17.693281 Å^3
• Polar Surface Area: 12.89 Å^2