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| CAS No.: | 75358-89-3 |
|---|---|
| Name: | methyl 2-cyanopyridine-3-carboxylate |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C8H6N2O2 |
| Molecular Weight: | 162.15 |
| Synonyms: | Methyl 2-cyano-3-pyridinecarboxylate; |
| Density: | 1.25 g/cm3 |
| Boiling Point: | 318 °C at 760 mmHg |
| Flash Point: | 146.1 °C |
| PSA: | 62.98000 |
| LogP: | 0.73988 |
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Specification
The Methyl 2-cyanopyridine-3-carboxylate is an organic compound with the formula C8H6N2O2. The IUPAC name of this chemical is methyl 2-cyanopyridine-3-carboxylate. With the CAS registry number 75358-89-3, it is also named as 2-Cyano-3-pyridinecarboxylic acid methyl ester.
Physical properties about Methyl 2-cyanopyridine-3-carboxylate are: (1)ACD/LogP: 0.44; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 62.98 Å2; (5)Index of Refraction: 1.535; (6)Molar Refractivity: 40.23 cm3; (7)Molar Volume: 129.1 cm3; (8)Polarizability: 15.94×10-24cm3; (9)Surface Tension: 55.5 dyne/cm; (10)Density: 1.25 g/cm3; (11)Flash Point: 146.1 °C; (12)Enthalpy of Vaporization: 55.94 kJ/mol; (13)Boiling Point: 318 °C at 760 mmHg; (14)Vapour Pressure: 0.000373 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ncccc1C(=O)OC
(2)InChI: InChI=1/C8H6N2O2/c1-12-8(11)6-3-2-4-10-7(6)5-9/h2-4H,1H3
(3)InChIKey: ANPYBZGPGODWJD-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H6N2O2/c1-12-8(11)6-3-2-4-10-7(6)5-9/h2-4H,1H3
(5)Std. InChIKey: ANPYBZGPGODWJD-UHFFFAOYSA-N