Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Nitro-2-(piperidine-1-yl)pyridine |
EINECS | N/A |
CAS No. | 26820-61-1 | Density | 1.242 g/cm3 |
PSA | 61.95000 | LogP | 2.56830 |
Solubility | N/A | Melting Point |
83-84℃ |
Formula | C10H13N3O2 | Boiling Point | 380.4 °C at 760 mmHg |
Molecular Weight | 207.232 | Flash Point | 183.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 28 |
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 %.
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, |