5-bromo-4-methylpyridin-3-amine

• ChemBase ID: 113979
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1(c(N)cncc1Br)C
• Canonical SMILES: Cc1c(N)cncc1Br
• InChI: InChI=1S/C6H7BrN2/c1-4-5(7)2-9-3-6(4)8/h2-3H,8H2,1H3
• InChIKey: VZPJBIMRSJQEMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4-methylpyridin-3-amine
• IUPAC Traditional name: 5-bromo-4-methylpyridin-3-amine
• Synonyms: 5-Bromo-4-methylpyridin-3-amine

Database IDs

• CAS Number: 850892-12-5
• MDL Number: MFCD07439976
• PubChem SID: 162098929
• PubChem CID: 7060679

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1272397
• LogD (pH = 7.4): 1.2076659
• Log P: 1.2088214
• Molar Refractivity: 41.2655 cm^3
• Polarizability: 15.196278 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.092

Product Information

• Purity: 95+%