2-fluoro-4-methylpyridine-3-carbaldehyde

• ChemBase ID: 293625
• Molecular Formular: C7H6FNO
• Molecular Mass: 139.1270432
• Monoisotopic Mass: 139.04334204
• SMILES: O=Cc1c(F)nccc1C
• Canonical SMILES: O=Cc1c(C)ccnc1F
• InChI: InChI=1S/C7H6FNO/c1-5-2-3-9-7(8)6(5)4-10/h2-4H,1H3
• InChIKey: BUGTZTDZFFHVEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-methylpyridine-3-carbaldehyde
• IUPAC Traditional name: 2-fluoro-4-methylpyridine-3-carbaldehyde
• Synonyms: 2-Fluoro-4-methylnicotinaldehyde

Database IDs

• CAS Number: 609771-39-3
• MDL Number: MFCD08277290
• PubChem SID: 180679156
• PubChem CID: 44754879

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5181296
• LogD (pH = 7.4): 1.5181297
• Log P: 1.5181297
• Molar Refractivity: 36.7574 cm^3
• Polarizability: 12.8148575 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%