3-bromo-5-chloropyridin-2-amine

• ChemBase ID: 41462
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: n1c(c(cc(c1)Cl)Br)N
• Canonical SMILES: Clc1cnc(c(c1)Br)N
• InChI: InChI=1S/C5H4BrClN2/c6-4-1-3(7)2-9-5(4)8/h1-2H,(H2,8,9)
• InChIKey: UWGGGYYCKDCTGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-chloropyridin-2-amine
• IUPAC Traditional name: 3-bromo-5-chloropyridin-2-amine
• Synonyms: 3-Bromo-5-chloropyridin-2-amine; 2-Amino-3-bromo-5-chloropyridine 98%; 2-Amino-3-bromo-5-chloropyridine; 3-Bromo-5-chloro-2-pyridinamine; 3-Bromo-5-chloro-2-pyridinamine; 2-Amino-3-bromo-5-chloropyridine; 2-氨基-3-溴-5-氯吡啶

Database IDs

• CAS Number: 26163-03-1
• MDL Number: MFCD00955627
• PubChem SID: 162046225
• PubChem CID: 2763971

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8918278
• LogD (pH = 7.4): 1.8938761
• Log P: 1.8939023
• Molar Refractivity: 41.3426 cm^3
• Polarizability: 15.4677305 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82 - 83 °C; 82-83°C; 83-85°C

Safety Information

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

Product Information

• Purity: >95%; 95%; 98%