2-bromo-5-fluoropyridin-3-amine

• ChemBase ID: 97618
• Molecular Formular: C5H4BrFN2
• Molecular Mass: 191.0010632
• Monoisotopic Mass: 189.95418836
• SMILES: n1c(c(cc(c1)F)N)Br
• Canonical SMILES: Fc1cnc(c(c1)N)Br
• InChI: InChI=1S/C5H4BrFN2/c6-5-4(8)1-3(7)2-9-5/h1-2H,8H2
• InChIKey: QUZAKZBKMMUARE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-fluoropyridin-3-amine
• IUPAC Traditional name: 2-bromo-5-fluoropyridin-3-amine
• Synonyms: 3-Amino-2-bromo-5-fluoropyridine; 2-Bromo-5-fluoropyridin-3-amine; 3-Amino-2-bromo-5-fluoropyridine

Database IDs

• CAS Number: 884495-03-8
• MDL Number: MFCD05662413
• PubChem SID: 162084214
• PubChem CID: 40427367

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0436237
• LogD (pH = 7.4): 1.043624
• Log P: 1.043624
• Molar Refractivity: 37.2829 cm^3
• Polarizability: 13.41432 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 198-201°C; 97-101°C

Safety Information

• Storage Warning: Harmful/Irritant//Light Sensitive/Store under Argon
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37-60
• TSCA Listed: 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: 97%