2-bromo-5-methylpyridin-3-amine

• ChemBase ID: 66329
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1(c(cc(cn1)C)N)Br
• Canonical SMILES: Cc1cnc(c(c1)N)Br
• InChI: InChI=1S/C6H7BrN2/c1-4-2-5(8)6(7)9-3-4/h2-3H,8H2,1H3
• InChIKey: ODOCHVONAOTFEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-methylpyridin-3-amine
• IUPAC Traditional name: 2-bromo-5-methylpyridin-3-amine
• Synonyms: 3-Amino-2-bromo-5-methylpyridine; 2-Bromo-5-methylpyridin-3-amine; 5-Amino-6-bromo-3-picoline; 2-Bromo-5-methyl-3-pyridinamine; 3-Amino-2-bromo-5-methylpyridine; 2-Bromo-5-methylpyridin-3-amine; 3-氨基-2-溴-5-甲基吡啶

Database IDs

• CAS Number: 34552-14-2
• MDL Number: MFCD08277281
• PubChem SID: 162032067
• PubChem CID: 12362448

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4139168
• LogD (pH = 7.4): 1.4143381
• Log P: 1.4143435
• Molar Refractivity: 42.1077 cm^3
• Polarizability: 15.249011 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103-106°C; 103-106°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• European Hazard Symbols: X
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H312-H332-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: 95+%; 97%; 98%