7-fluoroquinazolin-2-amine

• ChemBase ID: 52664
• Molecular Formular: C8H6FN3
• Molecular Mass: 163.1517432
• Monoisotopic Mass: 163.05457543
• SMILES: c1(ccc2c(c1)nc(nc2)N)F
• Canonical SMILES: Fc1ccc2c(c1)nc(nc2)N
• InChI: InChI=1S/C8H6FN3/c9-6-2-1-5-4-11-8(10)12-7(5)3-6/h1-4H,(H2,10,11,12)
• InChIKey: LEJSJPUMRRROQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoroquinazolin-2-amine
• IUPAC Traditional name: 7-fluoroquinazolin-2-amine
• Synonyms: 7-Fluoroquinazolin-2-amine

Database IDs

• CAS Number: 190274-01-2
• MDL Number: MFCD09264074
• PubChem SID: 162057427
• PubChem CID: 10487210

CALCULATED PROPERTIES

• Acid pKa: 16.833529
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4010228
• LogD (pH = 7.4): 1.4174112
• Log P: 1.4176246
• Molar Refractivity: 43.6633 cm^3
• Polarizability: 16.83577 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%