methyl 5-fluoropyridine-2-carboxylate

• ChemBase ID: 290780
• Molecular Formular: C7H6FNO2
• Molecular Mass: 155.1264432
• Monoisotopic Mass: 155.03825666
• SMILES: O=C(OC)c1ncc(F)cc1
• Canonical SMILES: COC(=O)c1ccc(cn1)F
• InChI: InChI=1S/C7H6FNO2/c1-11-7(10)6-3-2-5(8)4-9-6/h2-4H,1H3
• InChIKey: KCMBKUFSDZMQEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-fluoropyridine-2-carboxylate
• IUPAC Traditional name: methyl 5-fluoropyridine-2-carboxylate
• Synonyms: Methyl 5-fluoropicolinate

Database IDs

• CAS Number: 107504-07-4
• PubChem SID: 180676311
• PubChem CID: 23053520

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0876021
• LogD (pH = 7.4): 1.0876026
• Log P: 1.0876026
• Molar Refractivity: 35.7708 cm^3
• Polarizability: 13.642975 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%