4-bromo-2-methylpyridin-3-amine

• ChemBase ID: 289479
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: Nc1c(Br)ccnc1C
• Canonical SMILES: Brc1ccnc(c1N)C
• InChI: InChI=1S/C6H7BrN2/c1-4-6(8)5(7)2-3-9-4/h2-3H,8H2,1H3
• InChIKey: ORELOTUWTIKRIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-methylpyridin-3-amine
• IUPAC Traditional name: 4-bromo-2-methylpyridin-3-amine
• Synonyms: 4-Bromo-2-methylpyridin-3-amine

Database IDs

• CAS Number: 126325-48-2
• PubChem SID: 180675010
• PubChem CID: 14418044

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6691028
• LogD (pH = 7.4): 0.82434535
• Log P: 0.82677025
• Molar Refractivity: 40.8158 cm^3
• Polarizability: 15.196902 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%