5-bromo-2-methylpyridin-3-amine

• ChemBase ID: 61413
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1(c(cc(cn1)Br)N)C
• Canonical SMILES: Brc1cnc(c(c1)N)C
• InChI: InChI=1S/C6H7BrN2/c1-4-6(8)2-5(7)3-9-4/h2-3H,8H2,1H3
• InChIKey: CBAXYISWNGGXOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 914358-73-9
• MDL Number: MFCD09031418
• PubChem SID: 162027154
• PubChem CID: 21964096

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.77224433
• LogD (pH = 7.4): 0.8260359
• Log P: 0.82677025
• Molar Refractivity: 40.8158 cm^3
• Polarizability: 15.196644 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 108-109°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive; LIGHT SENSITIVE, IRRITANT-HARMFUL
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%; 97%; 98%