3-bromo-2-chloropyridin-4-amine

• ChemBase ID: 43834
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: c1(c(nccc1N)Cl)Br
• Canonical SMILES: Nc1ccnc(c1Br)Cl
• InChI: InChI=1S/C5H4BrClN2/c6-4-3(8)1-2-9-5(4)7/h1-2H,(H2,8,9)
• InChIKey: KTWAUKYSQFZIET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-chloropyridin-4-amine
• IUPAC Traditional name: 3-bromo-2-chloropyridin-4-amine
• Synonyms: 3-Bromo-2-chloro-4-pyridinamine; 3-Bromo-2-chloro-4-pyridinamine; 4-Amino-3-bromo-2-chloropyridine; 4-AMino-3-broMo-2-chloropyridine; 4-氨基-3-溴-2-氯吡啶

Database IDs

• CAS Number: 215364-85-5
• MDL Number: MFCD09263478
• PubChem SID: 162048597
• PubChem CID: 29919300

CALCULATED PROPERTIES

• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5147021
• LogD (pH = 7.4): 1.5195596
• Log P: 1.519622
• Molar Refractivity: 42.0904 cm^3
• Polarizability: 15.530292 Å^3

PROPERTIES

Physical Property

• Melting Point: 150 - 151 °C; 150-151°C

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: >95%; 97+%; 98%