4-fluoro-2-methylpyridine

• ChemBase ID: 68490
• Molecular Formular: C6H6FN
• Molecular Mass: 111.1169432
• Monoisotopic Mass: 111.04842742
• SMILES: c1(cc(ccn1)F)C
• Canonical SMILES: Fc1ccnc(c1)C
• InChI: InChI=1S/C6H6FN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3
• InChIKey: LEJYGRVERQVBLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-2-methylpyridine
• IUPAC Traditional name: 4-fluoro-2-methylpyridine
• Synonyms: 4-Fluoro-2-methylpyridine

Database IDs

• CAS Number: 766-16-5
• MDL Number: MFCD04114145
• PubChem SID: 162034221
• PubChem CID: 2762819

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.75275
• LogD (pH = 7.4): 1.0246353
• Log P: 1.0296454
• Molar Refractivity: 28.709 cm^3
• Polarizability: 10.867481 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%