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Basic Information
CAS No.: 103863-15-6
Name: 3-PHENYL-2-PYRIDINECARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 103863-15-6 (3-PHENYL-2-PYRIDINECARBOXYLIC ACID)
Formula: C12H9NO2
Molecular Weight: 199.209
Synonyms: Picolinicacid, 3-phenyl- (6CI);
Density: 1.241 g/cm3
Melting Point: 325-328℃
Boiling Point: 367.3 °C at 760 mmHg
Flash Point: 176 °C
PSA: 50.19000
LogP: 2.44680
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Specification

The 2-Pyridinecarboxylicacid, 3-phenyl- is an organic compound with the formula C12H9NO2. The systematic name of this chemical is 3-phenylpyridine-2-carboxylic acid. With the CAS registry number 103863-15-6, it is also named as 3-Phenylpicolinic acid. In addition, the molecular weight is 199.21.

The other characteristics of 2-Pyridinecarboxylicacid, 3-phenyl- can be summarized as: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.96; (4)ACD/LogD (pH 7.4): -1.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (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: 1.613; (14)Molar Refractivity: 55.86 cm3; (15)Molar Volume: 160.4 cm3; (16)Polarizability: 22.14×10-24 cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.241 g/cm3; (19)Flash Point: 176 °C; (20)Enthalpy of Vaporization: 64.77 kJ/mol; (21)Boiling Point: 367.3 °C at 760 mmHg; (22)Vapour Pressure: 4.82E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(O)c2ncccc2c1ccccc1
2. InChI:InChI=1/C12H9NO2/c14-12(15)11-10(7-4-8-13-11)9-5-2-1-3-6-9/h1-8H,(H,14,15) 
3. InChIKey:SJLPJJGKJSOUOR-UHFFFAOYAQ
4. Std. InChI:InChI=1S/C12H9NO2/c14-12(15)11-10(7-4-8-13-11)9-5-2-1-3-6-9/h1-8H,(H,14,15)
5. Std. InChIKey:SJLPJJGKJSOUOR-UHFFFAOYSA-N