2,5-dichloro-3-fluoropyridine

• ChemBase ID: 38358
• Molecular Formular: C5H2Cl2FN
• Molecular Mass: 165.9804832
• Monoisotopic Mass: 164.95483265
• SMILES: c1(c(cc(cn1)Cl)F)Cl
• Canonical SMILES: Clc1cnc(c(c1)F)Cl
• InChI: InChI=1S/C5H2Cl2FN/c6-3-1-4(8)5(7)9-2-3/h1-2H
• InChIKey: UMURTAGJSLLLMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-3-fluoropyridine
• IUPAC Traditional name: 2,5-dichloro-3-fluoropyridine
• Synonyms: 2,5-Dichloro-3-fluoropyridine 96%; 2,5-Dichloro-3-fluoropyridine

Database IDs

• CAS Number: 103999-77-5
• MDL Number: MFCD10699709
• PubChem SID: 161001665
• PubChem CID: 10964877

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.326542
• LogD (pH = 7.4): 2.326542
• Log P: 2.326542
• Molar Refractivity: 34.7884 cm^3
• Polarizability: 13.153211 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54-56°C

Safety Information

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

Product Information

• Purity: 98%