4-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyrimidine

• ChemBase ID: 309863
• Molecular Formular: C11H11FN4O
• Molecular Mass: 234.2296432
• Monoisotopic Mass: 234.09168921
• SMILES: n1c(nccc1c1cc(c(cc1)OC)F)NN
• Canonical SMILES: COc1ccc(cc1F)c1ccnc(n1)NN
• InChI: InChI=1S/C11H11FN4O/c1-17-10-3-2-7(6-8(10)12)9-4-5-14-11(15-9)16-13/h2-6H,13H2,1H3,(H,14,15,16)
• InChIKey: BHAXORMMZSRSMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyrimidine
• IUPAC Traditional name: 4-(3-fluoro-4-methoxyphenyl)-2-hydrazinylpyrimidine
• Synonyms: 4-(3-fluoro-4-methoxyphenyl)-2-hydrazinopyrimidine

Database IDs

• MDL Number: MFCD22575212

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.7510457
• LogD (pH = 7.4): 2.1300826
• Log P: 2.1382704
• Molar Refractivity: 63.8188 cm^3
• Polarizability: 24.224787 Å^3
• Polar Surface Area: 73.06 Å^2