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| CAS No.: | 65169-63-3 |
|---|---|
| Name: | 2-Cyano-3-methyl-5-nitropyridine |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C7H5N3O2 |
| Molecular Weight: | 163.136 |
| Synonyms: | 3-Methyl-5-nitropyridine-2-carbonitrile;2-Cyano-3-methyl-5-nitropyridine;3-methyl-5-nitropicolinonitrile;3-methyl-5-nitropyridine-2-carbonitrile; |
| Density: | 1.346 g/cm3 |
| Melting Point: | 75-76 °C(Solv: hexane (110-54-3)) |
| Boiling Point: | 366.602 °C at 760 mmHg |
| Flash Point: | 175.515 °C |
| PSA: | 82.50000 |
| LogP: | 1.69308 |
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- Total:18 Page 1 of 1 1
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Specification
The 2-Pyridinecarbonitrile,3-methyl-5-nitro-, with the CAS registry number 65169-63-3, has the systematic name of 3-methyl-5-nitropyridine-2-carbonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C7H5N3O2.
The physical properties of 2-Pyridinecarbonitrile,3-methyl-5-nitro- are as following: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 52; (8)ACD/KOC (pH 7.4): 52; (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: 1.57; (14)Molar Refractivity: 39.775 cm3; (15)Molar Volume: 121.158 cm3; (16)Polarizability: 15.768×10-24cm3; (17)Surface Tension: 64.919 dyne/cm; (18)Density: 1.346 g/cm3; (19)Flash Point: 175.515 °C; (20)Enthalpy of Vaporization: 61.304 kJ/mol; (21)Boiling Point: 366.602 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cnc1C#N)N(=O)=O
(2)InChI: InChI=1/C7H5N3O2/c1-5-2-6(10(11)12)4-9-7(5)3-8/h2,4H,1H3
(3)InChIKey: KMSQJNWARXZFII-UHFFFAOYAP