Name: 5-Nitro-2-piperidinopyridine
SKU: 26820-61-1

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Basic Information

Molecular Structure:
CAS No.:	26820-61-1
Name:	5-Nitro-2-piperidinopyridine
Article Data:	28

Formula:	C₁₀H₁₃N₃O₂
Molecular Weight:	207.232
Synonyms:	Piperidine,1-(5-nitro-2-pyridyl)- (6CI,8CI);5-Nitro-2-piperidin-1-ylpyridine;5-Nitro-2-piperidinopyridine;NSC 102511;2-Piperidino-5-nitropyridine;
Density:	1.242 g/cm³
Melting Point:	83-84℃
Boiling Point:	380.4 °C at 760 mmHg
Flash Point:	183.9 °C
PSA:	61.95000
LogP:	2.56830

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Specification

The Pyridine, 5-nitro-2-(1-piperidinyl)-, with the CAS registry number 26820-61-1, is also known as 2-(1-Piperidino)-5-nitropyridine. This chemical's molecular formula is C₁₀H₁₃N₃O₂ and molecular weight is 207.23. What's more, its IUPAC name is 5-Nitro-2-piperidin-1-ylpyridine.

Physical properties about Pyridine, 5-nitro-2-(1-piperidinyl)- are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 51.04; (6)ACD/BCF (pH 7.4): 57.77; (7)ACD/KOC (pH 5.5): 560.62; (8)ACD/KOC (pH 7.4): 634.5; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.95 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 55.7 cm³; (15)Molar Volume: 166.7 cm³; (16)Polarizability: 22.08×10^-24 cm³; (17)Surface Tension: 54.6 dyne/cm; (18)Density: 1.242 g/cm³; (19)Flash Point: 183.9 °C; (20)Enthalpy of Vaporization: 62.86 kJ/mol; (21)Boiling Point: 380.4 °C at 760 mmHg; (22)Vapour Pressure: 5.45E-06 mmHg at 25 °C.

Preparation of Pyridine, 5-nitro-2-(1-piperidinyl)-: this chemical is prepared by reaction of 2-Chloro-5-nitro-pyridine with Piperidine. The reaction needs solvent Methanol. The reaction time is 30 minutes with reaction temperature of 25 °C. The yield is about 90 %.

The Pyridine, 5-nitro-2-(1-piperidinyl)- can be obtained by 2-Chloro-5-nitro-pyridine and Piperidine

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cnc(cc1)N2CCCCC2
(2) InChI: InChI=1/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
(3) InChIKey: RQPFYHQIEVITPC-UHFFFAOYAC

The toxicity data is as follows：

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04707,