1,4-dihydropyridine

• ChemBase ID: 127038
• Molecular Formular: C5H7N
• Molecular Mass: 81.11578
• Monoisotopic Mass: 81.05784923
• SMILES: C1C=CNC=C1
• Canonical SMILES: C1C=CNC=C1
• InChI: InChI=1S/C5H7N/c1-2-4-6-5-3-1/h2-6H,1H2
• InChIKey: YNGDWRXWKFWCJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dihydropyridine
• IUPAC Systematic name: 1,4-Dihydropyridine
• IUPAC Traditional name: dihydropyridine
• Synonyms: Dihydropyridine

Database IDs

• CAS Number: 3337-17-5
• PubChem SID: 162221361
• PubChem CID: 104822
• Chemspider ID: 94619
• MeSH Name: 1,4-dihydropyridine
• Wikipedia Title: Dihydropyridine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5570624
• LogD (pH = 7.4): -2.3444138
• Log P: 0.6814458
• Molar Refractivity: 27.0216 cm^3
• Polarizability: 9.878161 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true