ethyl 6-(2,3-difluorophenyl)pyridine-2-carboxylate

• ChemBase ID: 290939
• Molecular Formular: C14H11F2NO2
• Molecular Mass: 263.2394464
• Monoisotopic Mass: 263.07578504
• SMILES: O=C(OCC)c1nc(c2cccc(F)c2F)ccc1
• Canonical SMILES: CCOC(=O)c1cccc(n1)c1cccc(c1F)F
• InChI: InChI=1S/C14H11F2NO2/c1-2-19-14(18)12-8-4-7-11(17-12)9-5-3-6-10(15)13(9)16/h3-8H,2H2,1H3
• InChIKey: PHDIUBHOTWAKDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-(2,3-difluorophenyl)pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 6-(2,3-difluorophenyl)pyridine-2-carboxylate
• Synonyms: Ethyl 6-(2,3-difluorophenyl)picolinate

Database IDs

• CAS Number: 1261831-63-3
• PubChem SID: 180676470
• PubChem CID: 54759099

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.620184
• LogD (pH = 7.4): 3.6201882
• Log P: 3.6201882
• Molar Refractivity: 65.5 cm^3
• Polarizability: 25.990297 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%