5-nitro-2-(piperidin-1-yl)pyridine

• ChemBase ID: 252885
• Molecular Formular: C10H13N3O2
• Molecular Mass: 207.22912
• Monoisotopic Mass: 207.10077667
• SMILES: [N+](=O)(c1cnc(N2CCCCC2)cc1)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(nc1)N1CCCCC1
• InChI: InChI=1S/C10H13N3O2/c14-13(15)9-4-5-10(11-8-9)12-6-2-1-3-7-12/h4-5,8H,1-3,6-7H2
• InChIKey: RQPFYHQIEVITPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-nitro-2-(piperidin-1-yl)pyridine
• IUPAC Traditional name: 5-nitro-2-(piperidin-1-yl)pyridine
• Synonyms: 5-nitro-2-piperidin-1-ylpyridine

Database IDs

• MDL Number: MFCD00086192
• PubChem SID: 164308795
• PubChem CID: 97158

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2482252
• LogD (pH = 7.4): 2.2484226
• Log P: 2.248425
• Molar Refractivity: 58.1099 cm^3
• Polarizability: 20.940882 Å^3
• Polar Surface Area: 61.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.477

Product Information

• Purity: 95%