4-fluoro-3-methylpyridine hydrochloride

• ChemBase ID: 293257
• Molecular Formular: C6H7ClFN
• Molecular Mass: 147.5778832
• Monoisotopic Mass: 147.02510513
• SMILES: Cc1c(F)ccnc1.Cl
• Canonical SMILES: Cc1cnccc1F.Cl
• InChI: InChI=1S/C6H6FN.ClH/c1-5-4-8-3-2-6(5)7;/h2-4H,1H3;1H
• InChIKey: WPPOYSGOIGWJKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-methylpyridine hydrochloride
• IUPAC Traditional name: 4-fluoro-3-methylpyridine hydrochloride
• Synonyms: 4-Fluoro-3-methylpyridine hydrochloride

Database IDs

• CAS Number: 1263282-40-1
• MDL Number: MFCD07368904
• PubChem SID: 180678788
• PubChem CID: 46941429

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2470659
• LogD (pH = 7.4): 1.409045
• Log P: 1.4116967
• Molar Refractivity: 29.1587 cm^3
• Polarizability: 10.86865 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%