Home >> Chemicals Listing >> hot product list by 3  

3-Pyridinecarboxylicacid, 5-bromo-2-fluoro- (29241-66-5)

Identification
Name:3-Pyridinecarboxylicacid, 5-bromo-2-fluoro-
Synonyms:Nicotinicacid, 5-bromo-2-fluoro- (8CI); 5-Bromo-2-fluoronicotinic acid
CAS:29241-66-5
Molecular Formula: C6H3 Br F N O2
Molecular Weight: 0
InChI: InChI=1/C6H3BrFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
Molecular Structure: (C6H3BrFNO2) Nicotinicacid, 5-bromo-2-fluoro- (8CI); 5-Bromo-2-fluoronicotinic acid
Properties
Density:1.903g/cm3
Refractive index:1.589
Specification:

The 5-Bromo-2-fluoronicotinic acid, with CAS registry number 29241-66-5, belongs to the following product category: Pyridines, Pyrimidines, Purines and Pteredines. It  has the systematic name of 5-Bromo-2-fluoronicotinic acid. Besides this, it is also called 3-Pyridinecarboxylic acid, 5-bromo-2-fluoro-. And the chemical formula of this chemical is C6H3BrFNO2.

Physical properties of 5-Bromo-2-fluoronicotinic acid: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 50.19 Å2; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 38.95 cm3; (13)Molar Volume: 115.5 cm3; (14)Polarizability: 15.44×10-24cm3; (15)Surface Tension: 59.6 dyne/cm; (16)Enthalpy of Vaporization: 60.13 kJ/mol; (17)Vapour Pressure: 8.22E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc(c1C(=O)O)F)Br
(2)InChI: InChI=1/C6H3BrFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
(3)InChIKey: VUGXRWXIIOSMCF-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H3BrFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
(5)Std. InChIKey: VUGXRWXIIOSMCF-UHFFFAOYSA-N

Safety Data
 

Other Product