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| CAS No.: | 24059-89-0 |
|---|---|
| Name: | 2-CYANO-3-METHOXYPYRIDINE |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C7H6N2O |
| Molecular Weight: | 134.1353 |
| Synonyms: | 3-methoxypyridine-2-carbonitrile;2-Cyano-3-methoxypyridine; |
| EINECS: | 1592732-453-0 |
| Density: | 1.16 g/cm3 |
| Melting Point: | 111-112℃ (ethyl acetate ) |
| Boiling Point: | 289.8 °C at 760 mmHg |
| Flash Point: | 129.1 °C |
| Hazard Symbols: | Xi |
| PSA: | 45.91000 |
| LogP: | 0.96188 |
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Specification
The 2-Pyridinecarbonitrile, 3-methoxy-, with the CAS registry number 24059-89-0, has the systematic name of 3-methoxypyridine-2-carbonitrile. And the molecular formula of this chemical is C7H6N2O. It is a kind of irritant chemical, and should be stored in the dry and cool environment.
The physical properties of 2-Pyridinecarbonitrile, 3-methoxy- are as following: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 1.16; (5)ACD/BCF (pH 5.5): 4.47; (6)ACD/BCF (pH 7.4): 4.47; (7)ACD/KOC (pH 5.5): 101.71; (8)ACD/KOC (pH 7.4): 101.71; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.91 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 35.48 cm3; (15)Molar Volume: 115.4 cm3; (16)Polarizability: 14.06×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 129.1 °C; (20)Enthalpy of Vaporization: 52.92 kJ/mol; (21)Boiling Point: 289.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00215 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ncccc1OC
(2)InChI: InChI=1/C7H6N2O/c1-10-7-3-2-4-9-6(7)5-8/h2-4H,1H3
(3)InChIKey: BEETZOYEGNNBAS-UHFFFAOYAL