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CAS No.: | 51315-07-2 |
---|---|
Name: | 2-Cyano-3-nitropyridine |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H3N3O2 |
Molecular Weight: | 149.109 |
Synonyms: | Picolinonitrile,3-nitro- (6CI);3-Nitropicolinonitrile; |
Density: | 1.41 g/cm3 |
Boiling Point: | 340.3 °C at 760 mmHg |
Flash Point: | 159.6 °C |
PSA: | 82.50000 |
LogP: | 1.38468 |
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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