2-bromo-5-fluoropyridin-4-amine

• ChemBase ID: 815986
• Molecular Formular: C5H4BrFN2
• Molecular Mass: 191.0010632
• Monoisotopic Mass: 189.95418836
• SMILES: n1c(cc(c(c1)F)N)Br
• Canonical SMILES: Brc1ncc(c(c1)N)F
• InChI: InChI=1S/C5H4BrFN2/c6-5-1-4(8)3(7)2-9-5/h1-2H,(H2,8,9)
• InChIKey: VSBXRKVNILPDOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-fluoropyridin-4-amine
• IUPAC Traditional name: 2-bromo-5-fluoropyridin-4-amine
• Synonyms: 2-BROMO-5-FLUOROPYRIDIN-4-AMINE

Database IDs

• CAS Number: 887570-94-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0423464
• LogD (pH = 7.4): 1.043608
• Log P: 1.043624
• Molar Refractivity: 37.2829 cm^3
• Polarizability: 13.407125 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%