2-Cyano-3-nitropyridine supplier

Name
2-Cyano-3-nitropyridine
EINECS
CAS No. 51315-07-2
Article Data5
CAS DataBase
Density 1.41 g/cm³
Solubility
Melting Point
Formula C₆H₃N₃O₂
Boiling Point 340.3 °C at 760 mmHg
Molecular Weight 149.109
Flash Point 159.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Picolinonitrile,3-nitro- (6CI);3-Nitropicolinonitrile;
PSA 82.50000
LogP 1.38468

2-Cyano-3-nitropyridine Specification

The 2-Cyano-3-nitropyridine is an organc compound with the formula C₆H₃N₃O₂. The IUPAC name of this chemical is 3-nitropyridine-2-carbonitrile. With the CAS registry number 51315-07-2, it is also named as 2-Pyridinecarbonitrile, 3-nitro-. The product's categories are Pyridine; Pyridines, Pyrimidines, Purines and Pteredines; Pharmacetical. In addition, the molecualr weight is 149.11.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.71; (8)ACD/KOC (pH 7.4): 34.71; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 82.5 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 35.15 cm³; (15)Molar Volume: 105.1 cm³; (16)Polarizability: 13.93×10^-24 cm³; (17)Surface Tension: 71.4 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 159.6 °C; (20)Enthalpy of Vaporization: 58.39 kJ/mol; (21)Boiling Point: 340.3 °C at 760 mmHg; (22)Vapour Pressure: 8.66E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:N#Cc1ncccc1[N+]([O-])=O
2. InChI:InChI=1/C6H3N3O2/c7-4-5-6(9(10)11)2-1-3-8-5/h1-3H
3. InChIKey:OLXPGXMJZQJQHT-UHFFFAOYAM
4. Std. InChI:InChI=1S/C6H3N3O2/c7-4-5-6(9(10)11)2-1-3-8-5/h1-3H
5. Std. InChIKey:OLXPGXMJZQJQHT-UHFFFAOYSA-N

Product Name

2-Cyano-3-nitropyridine

2-Cyano-3-nitropyridine Specification

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