2-[(2-fluoro-5-methoxyphenyl)methanehydrazonoyl]-6-methylpyridine

• ChemBase ID: 800791
• Molecular Formular: C14H14FN3O
• Molecular Mass: 259.2788632
• Monoisotopic Mass: 259.1120903
• SMILES: n1c(cccc1C)/C(=N\N)/c1c(ccc(c1)OC)F
• Canonical SMILES: COc1ccc(c(c1)/C(=N/N)/c1cccc(n1)C)F
• InChI: InChI=1S/C14H14FN3O/c1-9-4-3-5-13(17-9)14(18-16)11-8-10(19-2)6-7-12(11)15/h3-8H,16H2,1-2H3/b18-14-
• InChIKey: IUJNBFACBPEDSG-JXAWBTAJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-fluoro-5-methoxyphenyl)methanehydrazonoyl]-6-methylpyridine
• IUPAC Traditional name: 2-[(2-fluoro-5-methoxyphenyl)methanehydrazonoyl]-6-methylpyridine
• Synonyms: (Z)-2-((2-fluoro-5-methoxyphenyl)(hydrazono)methyl)-6-methylpyridine

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.433149
• LogD (pH = 7.4): 2.4333608
• Log P: 2.4333634
• Molar Refractivity: 71.9169 cm^3
• Polarizability: 26.939163 Å^3
• Polar Surface Area: 60.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%