Product Name

  • Name

    5-Cyanopyridine-2-carboxylic acid

  • EINECS -0
  • CAS No. 53234-55-2
  • Article Data5
  • CAS DataBase
  • Density 1.42g/cm3
  • Solubility Sparingly soluble in water.(0.26 g/L) (25°C),
  • Melting Point 212-214℃
  • Formula C7H4N2O2
  • Boiling Point 370.7 °C at 760 mmHg
  • Molecular Weight 148.121
  • Flash Point 178 °C
  • Transport Information
  • Appearance
  • Safety 45
  • Risk Codes 25
  • Molecular Structure Molecular Structure of 53234-55-2 (5-Cyanopyridine-2-carboxylic acid)
  • Hazard Symbols T
  • Synonyms 5-Cyanopyridine-2-carboxylic acid;2-Pyridinecarboxylicacid,5-cyano-(9CI);5-cyano-2-pyridinecarboxylic acid;5-cyanopicolinic acid;5-Cyano-pyridin-2-carboxylic acid;5-Cyanopicoliniic Acid;5-cyano-2-pyridincarboxylic acid
  • PSA 73.98000
  • LogP 0.65148

5-Cyano-2-pyridinecarboxylic acid Specification

The 5-Cyanopyridine-2-carboxylic acid, with CAS registry number 53234-55-2, belongs to the following product category: Carboxylicacid. It has the systematic name of 5-cyanopyridine-2-carboxylic acid. And the chemical formula of this chemical is C7H4N2O2.

Physical properties of 5-Cyanopyridine-2-carboxylic acid: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 73.98 Å2; (10)Index of Refraction: 1.596; (11)Molar Refractivity: 35.39 cm3; (12)Molar Volume: 103.9 cm3; (13)Polarizability: 14.03×10-24cm3; (14)Surface Tension: 78.2 dyne/cm; (15)Density: 1.42 g/cm3; (16)Flash Point: 178 °C; (17)Enthalpy of Vaporization: 65.16 kJ/mol; (18)Boiling Point: 370.7 °C at 760 mmHg; (19)Vapour Pressure: 3.77E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(C#N)cn1
(2)InChI: InChI=1/C7H4N2O2/c8-3-5-1-2-6(7(10)11)9-4-5/h1-2,4H,(H,10,11)
(3)InChIKey: HRLVPHGCEGTVLK-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H4N2O2/c8-3-5-1-2-6(7(10)11)9-4-5/h1-2,4H,(H,10,11)
(5)Std. InChIKey: HRLVPHGCEGTVLK-UHFFFAOYSA-N

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