methyl 4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(propan-2-yl)pyridine-3-carboxylate

• ChemBase ID: 173565
• Molecular Formular: C21H26FNO3
• Molecular Mass: 359.4344432
• Monoisotopic Mass: 359.18967192
• SMILES: c1(ccc(cc1)c1c(c(nc(c1C(=O)OC)C(C)C)C(C)C)COC)F
• Canonical SMILES: COCc1c(nc(c(c1c1ccc(cc1)F)C(=O)OC)C(C)C)C(C)C
• InChI: InChI=1S/C21H26FNO3/c1-12(2)19-16(11-25-5)17(14-7-9-15(22)10-8-14)18(21(24)26-6)20(23-19)13(3)4/h7-10,12-13H,11H2,1-6H3
• InChIKey: WLWQAKHXRZNEIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(propan-2-yl)pyridine-3-carboxylate
• IUPAC Traditional name: methyl 4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridine-3-carboxylate
• Synonyms: 4-(4-Fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinecarboxylic Acid Methyl Ester; Methyl 2,6-Diisopropyl-4-(4-fluorophenyl)-3-hydroxymethyl-5-methoxypyridine-3-carboxylate

Database IDs

• CAS Number: 887407-03-6
• PubChem SID: 164229475
• PubChem CID: 29983672

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.1143103
• LogD (pH = 7.4): 5.173725
• Log P: 5.174539
• Molar Refractivity: 100.4319 cm^3
• Polarizability: 39.712242 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: White Crystalline Solid

DETAILS

Toronto Research Chemicals - M302350

Used for preparation of substituted biphenyls as glucagon receptor antagonists.