2-bromo-4-methylpyridin-3-amine

• ChemBase ID: 65492
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1(c(c(ccn1)C)N)Br
• Canonical SMILES: Cc1ccnc(c1N)Br
• InChI: InChI=1S/C6H7BrN2/c1-4-2-3-9-6(7)5(4)8/h2-3H,8H2,1H3
• InChIKey: RQGNAHOAQQVKDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-methylpyridin-3-amine
• IUPAC Traditional name: 2-bromo-4-methylpyridin-3-amine
• Synonyms: 3-Amino-2-bromo-4-methylpyridine; 2-Bromo-4-methylpyridin-3-amine; 3-Amino-2-bromo-4-picoline; 2-bromo-4-methylpyridin-3-amine

Database IDs

• CAS Number: 126325-50-6
• MDL Number: MFCD04112497
• PubChem SID: 162031231
• PubChem CID: 14418047

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4135526
• LogD (pH = 7.4): 1.4143335
• Log P: 1.4143435
• Molar Refractivity: 42.1077 cm^3
• Polarizability: 15.247772 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Hydrophobicity(logP): 1.803

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 97%; 98%