3-fluoro-5-methylpyridin-4-amine

• ChemBase ID: 289118
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: Nc1c(F)cncc1C
• Canonical SMILES: Nc1c(C)cncc1F
• InChI: InChI=1S/C6H7FN2/c1-4-2-9-3-5(7)6(4)8/h2-3H,1H3,(H2,8,9)
• InChIKey: OUGVZDCOIWTZBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5-methylpyridin-4-amine
• IUPAC Traditional name: 3-fluoro-5-methylpyridin-4-amine
• Synonyms: 3-Fluoro-5-methylpyridin-4-amine

Database IDs

• CAS Number: 13958-85-5
• PubChem SID: 180674649
• PubChem CID: 45116209

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.30919582
• LogD (pH = 7.4): 0.44308996
• Log P: 0.58277076
• Molar Refractivity: 33.8591 cm^3
• Polarizability: 12.030108 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%