5-bromo-3-methylpyridin-2-amine

• ChemBase ID: 6788
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1(cnc(c(c1)C)N)Br
• Canonical SMILES: Brc1cnc(c(c1)C)N
• InChI: InChI=1S/C6H7BrN2/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3,(H2,8,9)
• InChIKey: KBLGGRWUEVCNPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 3430-21-5
• MDL Number: MFCD00068232
• Beilstein Number: 386426
• PubChem SID: 24874492; 160970095
• PubChem CID: 137934

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5166129
• LogD (pH = 7.4): 1.7980365
• Log P: 1.8032789
• Molar Refractivity: 41.579 cm^3
• Polarizability: 15.196105 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Yellow Solid
• Melting Point: 86-88°C; 88 - 95°C; 88-95 °C(lit.); 88-95°C; 90-94°C; 92-94°C
• Hydrophobicity(logP): 0.403

Safety Information

• Storage Warning: Hygroscopic; IRRITANT; Irritant
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280H-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C6H7BrN2

DETAILS

Sigma Aldrich - 525537

Packaging
1, 5 g in glass bottle