2-chloro-3-nitro-6-(piperidin-4-yl)pyridine

• ChemBase ID: 801869
• Molecular Formular: C10H12ClN3O2
• Molecular Mass: 241.67418
• Monoisotopic Mass: 241.06180432
• SMILES: n1c(c(ccc1C1CCNCC1)[N+](=O)[O-])Cl
• Canonical SMILES: Clc1nc(ccc1[N+](=O)[O-])C1CCNCC1
• InChI: InChI=1S/C10H12ClN3O2/c11-10-9(14(15)16)2-1-8(13-10)7-3-5-12-6-4-7/h1-2,7,12H,3-6H2
• InChIKey: MYHRDIJNKYATNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-nitro-6-(piperidin-4-yl)pyridine
• IUPAC Traditional name: 2-chloro-3-nitro-6-(piperidin-4-yl)pyridine
• Synonyms: 2-CHLORO-3-NITRO-6-PIPERIDIN-4-YLPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4588636
• LogD (pH = 7.4): -0.68399924
• Log P: 1.7547275
• Molar Refractivity: 61.1108 cm^3
• Polarizability: 23.2563 Å^3
• Polar Surface Area: 68.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%