6-bromo-4-methylpyridin-3-amine

• ChemBase ID: 68493
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1c(c(cc(n1)Br)C)N
• Canonical SMILES: Brc1ncc(c(c1)C)N
• InChI: InChI=1S/C6H7BrN2/c1-4-2-6(7)9-3-5(4)8/h2-3H,8H2,1H3
• InChIKey: MVDBPMJQCXZKRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-methylpyridin-3-amine
• IUPAC Traditional name: 6-bromo-4-methylpyridin-3-amine
• Synonyms: 6-Bromo-4-methylpyridin-3-amine; 3-Amino-6-bromo-4-methylpyridine

Database IDs

• CAS Number: 156118-16-0
• MDL Number: MFCD08277280
• PubChem SID: 162034224
• PubChem CID: 19926094

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4133205
• LogD (pH = 7.4): 1.4143306
• Log P: 1.4143435
• Molar Refractivity: 42.1077 cm^3
• Polarizability: 15.243124 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54 - 56°C
• Hydrophobicity(logP): 1.753

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%