3-Pyridinecarboxylicacid, 5-(4-fluorophenyl)- supplier

Name
3-(4-FLUOROPHENYL)-5-PYRIDINECARBOXYLIC ACID
EINECS
CAS No. 364064-17-5
Article Data4
CAS DataBase
Density 1.318 g/cm³
Solubility
Melting Point
Formula C₁₂H₈FNO₂
Boiling Point 415.7 °C at 760 mmHg
Molecular Weight 217.1958
Flash Point 205.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(4-Fluorophenyl)nicotinic acid;
PSA 50.19000
LogP 2.58590

3-Pyridinecarboxylicacid, 5-(4-fluorophenyl)- Specification

The 3-Pyridinecarboxylicacid, 5-(4-fluorophenyl)-, with the CAS registry number 364064-17-5, is also known as 5-(4-Fluorophenyl)nicotinic acid. It belongs to the product category of Heterocyclic compounds. This chemical's molecular formula is C₁₂H₈FNO₂ and molecular weight is 217.1958. What's more, its systematic name is called 5-(4-Fluorophenyl)pyridine-3-carboxylic acid.

Physical properties about 3-Pyridinecarboxylicacid, 5-(4-fluorophenyl)- are: (1)ACD/LogP: 2.20; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.17; (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: 39.19 Å²; (12)Index of Refraction: 1.593; (13)Molar Refractivity: 55.85 cm³; (14)Molar Volume: 164.6 cm³; (15)Polarizability: 22.14×10^-24 cm³ ; (16)Surface Tension: 52.8 dyne/cm; (17)Density: 1.318 g/cm³; (18)Flash Point: 205.2 °C; (19)Enthalpy of Vaporization: 70.52 kJ/mol; (20)Boiling Point: 415.7 °C at 760 mmHg; (21)Vapour Pressure: 1.17E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc2ccc(c1cc(cnc1)C(=O)O)cc2
(2) InChI: InChI=1/C12H8FNO2/c13-11-3-1-8(2-4-11)9-5-10(12(15)16)7-14-6-9/h1-7H,(H,15,16)
(3) InChIKey: KISDAKHYANOMTN-UHFFFAOYAU

Product Name

3-(4-FLUOROPHENYL)-5-PYRIDINECARBOXYLIC ACID

3-Pyridinecarboxylicacid, 5-(4-fluorophenyl)- Specification

Related Products

Hot Products