2-chloro-6-fluoropyridine

• ChemBase ID: 18099
• Molecular Formular: C5H3ClFN
• Molecular Mass: 131.5354232
• Monoisotopic Mass: 130.993805
• SMILES: c1(cccc(n1)F)Cl
• Canonical SMILES: Fc1cccc(n1)Cl
• InChI: InChI=1S/C5H3ClFN/c6-4-2-1-3-5(7)8-4/h1-3H
• InChIKey: LXOHKRGLGLETIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-fluoropyridine
• IUPAC Traditional name: 2-chloro-6-fluoropyridine
• Synonyms: 2-Chloro-6-fluoropyridine

Database IDs

• CAS Number: 20885-12-5
• MDL Number: MFCD00077483
• PubChem SID: 160981406
• PubChem CID: 639437

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.116428
• Log P: 2.116428
• Molar Refractivity: 30.9983 cm^3
• Polarizability: 11.134712 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.116428

PROPERTIES

Physical Property

• Melting Point: 34-36°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%; 98%