2-(3,4,5,6-tetrahydropyridin-2-yl)pyridine

• ChemBase ID: 289070
• Molecular Formular: C10H12N2
• Molecular Mass: 160.21568
• Monoisotopic Mass: 160.10004839
• SMILES: c1(C2=NCCCC2)ncccc1
• Canonical SMILES: C1CCC(=NC1)c1ccccn1
• InChI: InChI=1S/C10H12N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1,3,5,7H,2,4,6,8H2
• InChIKey: SIYJMPLQXPDFRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4,5,6-tetrahydropyridin-2-yl)pyridine
• IUPAC Traditional name: 2-(3,4,5,6-tetrahydropyridin-2-yl)pyridine
• Synonyms: 2-(3,4,5,6-Tetrahydropyridin-2-yl)pyridine

Database IDs

• CAS Number: 53422-71-2
• MDL Number: MFCD21086766
• PubChem SID: 180674601
• PubChem CID: 12009046

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4459887
• LogD (pH = 7.4): 1.6045331
• Log P: 1.6069804
• Molar Refractivity: 48.382 cm^3
• Polarizability: 18.636494 Å^3
• Polar Surface Area: 25.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%