6-(4-fluorophenyl)pyridazin-3-amine

• ChemBase ID: 96797
• Molecular Formular: C10H8FN3
• Molecular Mass: 189.1890232
• Monoisotopic Mass: 189.07022549
• SMILES: n1c(ccc(n1)N)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)c1ccc(nn1)N
• InChI: InChI=1S/C10H8FN3/c11-8-3-1-7(2-4-8)9-5-6-10(12)14-13-9/h1-6H,(H2,12,14)
• InChIKey: PXHAHXRMFFNTGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-fluorophenyl)pyridazin-3-amine
• IUPAC Traditional name: 6-(4-fluorophenyl)pyridazin-3-amine
• Synonyms: 6-(4-Fluorophenyl)pyridazin-3-amine; 1-(6-Aminopyridazin-3-yl)-4-fluorobenzene; 3-Amino-6-(4-fluorophenyl)pyridazine

Database IDs

• CAS Number: 105538-07-6
• MDL Number: MFCD06801351
• PubChem SID: 162083444
• PubChem CID: 11030588

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.702703
• LogD (pH = 7.4): 1.7169282
• Log P: 1.7171127
• Molar Refractivity: 53.7589 cm^3
• Polarizability: 20.275476 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 170°C

Safety Information

• Storage Warning: Harmful/Irritant