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23590-00-3

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Basic Information
CAS No.: 23590-00-3
Name: 3-CYANOPYRIDINE-2-CARBOXAMIDE
Molecular Structure:
Molecular Structure of 23590-00-3 (3-CYANOPYRIDINE-2-CARBOXAMIDE)
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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Specification

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