6-fluoropyridazine-3-carbonitrile

• ChemBase ID: 63569
• Molecular Formular: C5H2FN3
• Molecular Mass: 123.0878832
• Monoisotopic Mass: 123.0232753
• SMILES: Fc1ccc(C#N)nn1
• Canonical SMILES: Fc1ccc(nn1)C#N
• InChI: InChI=1S/C5H2FN3/c6-5-2-1-4(3-7)8-9-5/h1-2H
• InChIKey: NTDISTIQLNPEDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoropyridazine-3-carbonitrile
• IUPAC Traditional name: 6-fluoropyridazine-3-carbonitrile
• Synonyms: 6-Fluoro-pyridazine-3-carbonitrile

Database IDs

• CAS Number: 1313738-70-3
• MDL Number: MFCD19443955
• PubChem SID: 162029308
• PubChem CID: 57415865

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.55438256
• LogD (pH = 7.4): 0.55438256
• Log P: 0.55438256
• Molar Refractivity: 30.3451 cm^3
• Polarizability: 10.181782 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%