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| CAS No.: | 1089330-68-6 |
|---|---|
| Name: | 5-Methyl-3-nitro-2-pyridinecarbonitrile |
| Molecular Structure: | |
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| Formula: | C7H5N3O2 |
| Molecular Weight: | 163.13 |
| Synonyms: | 5-methyl-3-nitropyridine-2-carbonitrile |
| Density: | 1.34 g/cm3 |
| Boiling Point: | 378.2 °C at 760 mmHg |
| Flash Point: | 182.5 °C |
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 82.50000 |
| LogP: | 1.69308 |
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Specification
This chemical is called 5-Methyl-3-nitro-2-pyridinecarbonitrile. With the molecular formula of C7H5N3O2, its molecular weight is 163.13. The CAS registry number of this chemical is 1089330-68-6.
Other characteristics of the 5-Methyl-3-nitro-2-pyridinecarbonitrile can be summarised as followings: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 2.23; (6)ACD/BCF (pH 7.4): 2.23; (7)ACD/KOC (pH 5.5): 61.76; (8)ACD/KOC (pH 7.4): 61.76; (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: 39.77 cm3; (15)Molar Volume: 121.1 cm3; (16)Polarizability: 15.76×10-24cm3; (17)Surface Tension: 64.9 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 182.5 °C; (20)Enthalpy of Vaporization: 62.61 kJ/mol; (21)Boiling Point: 378.2 °C at 760 mmHg; (22)Vapour Pressure: 6.4E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1ncc(C)cc1[N+]([O-])=O
2.InChI: InChI=1/C7H5N3O2/c1-5-2-7(10(11)12)6(3-8)9-4-5/h2,4H,1H3
3.InChIKey: CWYBJZBJPJILCJ-UHFFFAOYAG