6-bromo-8-fluoroquinazolin-4-amine

• ChemBase ID: 237801
• Molecular Formular: C8H5BrFN3
• Molecular Mass: 242.0478032
• Monoisotopic Mass: 240.9650874
• SMILES: c12c(c(cc(c2)Br)F)ncnc1N
• Canonical SMILES: Brc1cc(F)c2c(c1)c(N)ncn2
• InChI: InChI=1S/C8H5BrFN3/c9-4-1-5-7(6(10)2-4)12-3-13-8(5)11/h1-3H,(H2,11,12,13)
• InChIKey: UNVPWZRBRPYSDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-8-fluoroquinazolin-4-amine
• IUPAC Traditional name: 6-bromo-8-fluoroquinazolin-4-amine
• Synonyms: 6-bromo-8-fluoroquinazolin-4-amine

Database IDs

• MDL Number: MFCD17011791
• PubChem SID: 164293711
• PubChem CID: 46835618

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1020038
• LogD (pH = 7.4): 2.1020482
• Log P: 2.1020486
• Molar Refractivity: 51.6536 cm^3
• Polarizability: 19.730707 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 343 - 345°C
• Hydrophobicity(logP): 2.112

Product Information

• Purity: 95%