Home >> Chemicals Listing >> hot product list by 2  

2-Pyridinecarboxylicacid, 5-(4-fluorophenyl)- (845826-99-5)

Identification
Name:2-Pyridinecarboxylicacid, 5-(4-fluorophenyl)-
Synonyms:5-(4-Fluorophenyl)picolinicacid;
CAS:845826-99-5
Molecular Formula: C12H8FNO2
Molecular Weight: 217.2
InChI: InChI=1/C12H8FNO2/c13-10-4-1-8(2-5-10)9-3-6-11(12(15)16)14-7-9/h1-7H,(H,15,16)
Molecular Structure: (C12H8FNO2) 5-(4-Fluorophenyl)picolinicacid;
Properties
Density:1.318g/cm3
Refractive index:1.593
Specification:

The 5-(4-Fluorophenyl)pyridine-2-carboxylic acid with cas registry number of 845826-99-5, has the systematic name of 5-(4-fluorophenyl)pyridine-2-carboxylic acid. And it is also named 2-pyridinecarboxylic acid, 5-(4-fluorophenyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.27; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 50.19 Å2; (12)Index of Refraction: 1.593; (13)Molar Refractivity: 55.85 cm3; (14)Molar Volume: 164.6 cm3; (15)Polarizability: 22.1×10-24cm3; (16)Surface Tension: 52.8 dyne/cm; (17)Enthalpy of Vaporization: 68.02 kJ/mol; (18)Vapour Pressure: 6.04E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(O)c1ccc(cn1)c2ccc(F)cc2;
(2)InChI: InChI=1/C12H8FNO2/c13-10-4-1-8(2-5-10)9-3-6-11(12(15)16)14-7-9/h1-7H,(H,15,16);
(3)InChIKey: BVDMIKPXCXAARR-UHFFFAOYAF;
(4)Std. InChI: InChI=1S/C12H8FNO2/c13-10-4-1-8(2-5-10)9-3-6-11(12(15)16)14-7-9/h1-7H,(H,15,16);
(5)Std. InChIKey: BVDMIKPXCXAARR-UHFFFAOYSA-N

Safety Data
 

Other Product