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3-Amino-2-(Phenylethynyl)pyridine

  • Name 3-Amino-2-(Phenylethynyl)pyridine
  • EINECSN/A
  • CAS No. 288254-71-7
  • Density1.19 g/cm3
  • PSA38.91000
  • LogP2.64480
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC13H10N2
  • Boiling Point404.3 °C at 760 mmHg
  • Molecular Weight194.236
  • Flash Point227.3 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 288254-71-7 (3-Amino-2-(Phenylethynyl)pyridine)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data4

3-Amino-2-(Phenylethynyl)pyridine Specification

The 3-Amino-2-(Phenylethynyl)pyridine, with the CAS registry number 288254-71-7, is also known as 3-Pyridinamine, 2-(2-phenylethynyl)-. This chemical's molecular formula is C13H10N2 and molecular weight is 194.236. What's more, its systematic name is 2-(Phenylethynyl)pyridin-3-amine.

Physical properties about 3-Amino-2-(Phenylethynyl)pyridine are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 50.19; (6)ACD/BCF (pH 7.4): 50.43; (7)ACD/KOC (pH 5.5): 573.22; (8)ACD/KOC (pH 7.4): 575.92; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 60.14 cm3; (15)Molar Volume: 162.8 cm3; (16)Polarizability: 23.84×10-24 cm3; (17)Surface Tension: 62.8 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 227.3 °C; (20)Enthalpy of Vaporization: 65.58 kJ/mol; (21)Boiling Point: 404.3 °C at 760 mmHg; (22)Vapour Pressure: 9.52E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C(#Cc1ncccc1N)c2ccccc2
(2) InChI: InChI=1/C13H10N2/c14-12-7-4-10-15-13(12)9-8-11-5-2-1-3-6-11/h1-7,10H,14H2
(3) InChIKey: SKLFLWWXQBYFQR-UHFFFAOYAW

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