2-(bromomethyl)-3,5-dimethylpyridine

• ChemBase ID: 291718
• Molecular Formular: C8H10BrN
• Molecular Mass: 200.0757
• Monoisotopic Mass: 198.99966133
• SMILES: Cc1cnc(CBr)c(C)c1
• Canonical SMILES: BrCc1ncc(cc1C)C
• InChI: InChI=1S/C8H10BrN/c1-6-3-7(2)8(4-9)10-5-6/h3,5H,4H2,1-2H3
• InChIKey: HHTUXJZGWMKIKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-3,5-dimethylpyridine
• IUPAC Traditional name: 2-(bromomethyl)-3,5-dimethylpyridine
• Synonyms: 2-(Bromomethyl)-3,5-dimethylpyridine

Database IDs

• CAS Number: 170289-36-8
• MDL Number: MFCD13192042
• PubChem SID: 180677249
• PubChem CID: 16735697

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.431999
• LogD (pH = 7.4): 2.6332743
• Log P: 2.6366255
• Molar Refractivity: 46.3117 cm^3
• Polarizability: 17.477308 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%