3,4-difluoropyridine

• ChemBase ID: 94875
• Molecular Formular: C5H3F2N
• Molecular Mass: 115.0808264
• Monoisotopic Mass: 115.02335554
• SMILES: n1cc(c(cc1)F)F
• Canonical SMILES: Fc1cnccc1F
• InChI: InChI=1S/C5H3F2N/c6-4-1-2-8-3-5(4)7/h1-3H
• InChIKey: JSXCLIYVGKBOOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-difluoropyridine
• IUPAC Traditional name: 3,4-difluoropyridine
• Synonyms: 3,4-Difluoropyridine

Database IDs

• CAS Number: 82878-63-5
• MDL Number: MFCD04114246
• PubChem SID: 162081529
• PubChem CID: 2762927

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0405778
• LogD (pH = 7.4): 1.0409722
• Log P: 1.0409772
• Molar Refractivity: 24.3339 cm^3
• Polarizability: 8.944433 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Highly Flammable/Harmful/Irritant/Store under Argon

Product Information

• Purity: 98%