6-bromo-2-fluoropyridin-3-amine

• ChemBase ID: 65956
• Molecular Formular: C5H4BrFN2
• Molecular Mass: 191.0010632
• Monoisotopic Mass: 189.95418836
• SMILES: n1c(c(ccc1Br)N)F
• Canonical SMILES: Brc1ccc(c(n1)F)N
• InChI: InChI=1S/C5H4BrFN2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2
• InChIKey: QYJIKULJTMICLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-fluoropyridin-3-amine
• IUPAC Traditional name: 6-bromo-2-fluoropyridin-3-amine
• Synonyms: 6-Bromo-2-fluoropyridin-3-amine

Database IDs

• CAS Number: 850220-97-2
• MDL Number: MFCD13659314
• PubChem SID: 162031695
• PubChem CID: 59424797

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4375547
• LogD (pH = 7.4): 1.4375547
• Log P: 1.4375547
• Molar Refractivity: 38.2976 cm^3
• Polarizability: 13.410751 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96 - 97 °C; 96-97°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; >97%