4-(3,4-dihydro-2H-pyran-5-yl)pyridine

• ChemBase ID: 248098
• Molecular Formular: C10H11NO
• Molecular Mass: 161.20044
• Monoisotopic Mass: 161.08406398
• SMILES: C1(=COCCC1)c1ccncc1
• Canonical SMILES: C1COC=C(C1)c1ccncc1
• InChI: InChI=1S/C10H11NO/c1-2-10(8-12-7-1)9-3-5-11-6-4-9/h3-6,8H,1-2,7H2
• InChIKey: UQCCFPGAZVRZBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,4-dihydro-2H-pyran-5-yl)pyridine
• IUPAC Traditional name: 4-(5,6-dihydro-4H-pyran-3-yl)pyridine
• Synonyms: 4-(3,4-dihydro-2H-pyran-5-yl)pyridine

Database IDs

• PubChem SID: 164304008
• PubChem CID: 71758388

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2134871
• LogD (pH = 7.4): 1.284121
• Log P: 1.2851207
• Molar Refractivity: 47.4677 cm^3
• Polarizability: 18.431742 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.162

Product Information

• Purity: 95%