5-(2-PHENYLETH-1-YNYL)NICOTINIC ACID

This chemical is called 3-Pyridinecarboxylic acid, 5-(2-phenylethynyl)-, and its systematic name is 5-(phenylethynyl)pyridine-3-carboxylic acid. With the molecular formula of C₁₄H₉NO₂, its molecular weight is 223.23. The CAS registry number of this chemical is 175203-69-7. Additionally, its product categories are Carboxylic Acids; Pyridines.

Other characteristics of the 3-Pyridinecarboxylic acid, 5-(2-phenylethynyl)- can be summarised as followings: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.75; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 62.8 cm³; (15)Molar Volume: 169.9 cm³; (16)Polarizability: 24.89×10^-24cm³; (17)Surface Tension: 69.5 dyne/cm; (18)Density: 1.31 g/cm³; (19)Flash Point: 228.4 °C; (20)Enthalpy of Vaporization: 75.2 kJ/mol; (21)Boiling Point: 454.1 °C at 760 mmHg; (22)Vapour Pressure: 4.89E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)c2cncc(C#Cc1ccccc1)c2
2.InChI: InChI=1/C14H9NO2/c16-14(17)13-8-12(9-15-10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,16,17)
3.InChIKey: DXJZBANECHYHRT-UHFFFAOYAF