2-(naphthalen-2-yl)pyrimidine-5-carbaldehyde

• ChemBase ID: 307126
• Molecular Formular: C15H10N2O
• Molecular Mass: 234.2527
• Monoisotopic Mass: 234.07931295
• SMILES: c1(ncc(cn1)C=O)c1cc2c(cc1)cccc2
• Canonical SMILES: O=Cc1cnc(nc1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C15H10N2O/c18-10-11-8-16-15(17-9-11)14-6-5-12-3-1-2-4-13(12)7-14/h1-10H
• InChIKey: PEPUDGUDPHYAEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yl)pyrimidine-5-carbaldehyde
• IUPAC Traditional name: 2-(naphthalen-2-yl)pyrimidine-5-carbaldehyde
• Synonyms: 2-(2-naphthyl)pyrimidine-5-carbaldehyde

Database IDs

• CAS Number: 915919-99-2
• MDL Number: MFCD08691533

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1066928
• LogD (pH = 7.4): 3.1066976
• Log P: 3.1066976
• Molar Refractivity: 81.1676 cm^3
• Polarizability: 28.302137 Å^3
• Polar Surface Area: 42.85 Å^2