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CAS No.: | 23590-00-3 |
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Name: | 3-CYANOPYRIDINE-2-CARBOXAMIDE |
Molecular Structure: | |
Formula: | C7H5N3O |
Molecular Weight: | 147.1341 |
Synonyms: | 2-Pyridinecarboxamide, 3-cyano-; |
Density: | 1.33 g/cm3 |
Melting Point: | 275 °C(Solv: acetone (67-64-1)) |
Boiling Point: | 369.4 °C at 760 mmHg |
Flash Point: | 177.2 °C |
PSA: | 79.77000 |
LogP: | 0.75248 |
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The 3-Cyano-2-pyridinecarboxamide, with the CAS registry number 23590-00-3, is also known as 2-Pyridinecarboxamide, 3-cyano-. It belongs to the product category of Amide. This chemical's molecular formula is C7H5N3O and molecular weight is 147.1341. What's more, its systematic name is called 3-Cyanopyridine-2-carboxamide.
Physical properties about 3-Cyano-2-pyridinecarboxamide are: (1)#of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 79.77 Å2; (6)Index of Refraction: 1.596; (7)Molar Refractivity: 37.48 cm3; (8)Molar Volume: 110.1 cm3; (9)Surface Tension: 72.8 dyne/cm; (10)Density: 1.33 g/cm3; (11)Flash Point: 177.2 °C; (12)Enthalpy of Vaporization: 61.62 kJ/mol; (13)Boiling Point: 369.4 °C at 760 mmHg; (14)Vapour Pressure: 1.19E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)c1ncccc1C#N
(2) InChI: InChI=1/C7H5N3O/c8-4-5-2-1-3-10-6(5)7(9)11/h1-3H,(H2,9,11)
(3) InChIKey: PFKPTCLDFSITFB-UHFFFAOYAH