methyl 4-amino-5-fluoropyridine-2-carboxylate

• ChemBase ID: 801962
• Molecular Formular: C7H7FN2O2
• Molecular Mass: 170.1410832
• Monoisotopic Mass: 170.04915569
• SMILES: n1c(cc(c(c1)F)N)C(=O)OC
• Canonical SMILES: COC(=O)c1cc(N)c(cn1)F
• InChI: InChI=1S/C7H7FN2O2/c1-12-7(11)6-2-5(9)4(8)3-10-6/h2-3H,1H3,(H2,9,10)
• InChIKey: DGVFLFDGJISPFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-amino-5-fluoropyridine-2-carboxylate
• IUPAC Traditional name: methyl 4-amino-5-fluoropyridine-2-carboxylate
• Synonyms: METHYL 4-AMINO-5-FLUOROPYRIDINE-2-CARBOXYLATE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.25495005
• LogD (pH = 7.4): 0.25862953
• Log P: 0.25867665
• Molar Refractivity: 40.4712 cm^3
• Polarizability: 14.814875 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%