-
Name
ethyl 2,6-dichloro-5-fluoropyridine-3-carboxylate
- EINECS
- CAS No. 82671-03-2
- Article Data3
- CAS DataBase
- Density 1.441 g/cm3
- Solubility
- Melting Point
- Formula C8H6Cl2FNO2
- Boiling Point 285.594 °C at 760 mmHg
- Molecular Weight 238.046
- Flash Point 126.523 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2,6-Dichloro-5-fluoronicotinicacid ethyl ester;Ethyl 2,6-dichloro-5-fluoronicotinate;
- PSA 39.19000
- LogP 2.70420
3-Pyridinecarboxylicacid, 2,6-dichloro-5-fluoro-, ethyl ester Specification
The 3-Pyridinecarboxylicacid, 2,6-dichloro-5-fluoro-, ethyl ester, with the CAS registry number 82671-03-2, is also known as 2,6-Dichloro-5-fluoronicotinic acid ethyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C8H6Cl2FNO2 and molecular weight is 238.0431432. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 2,6-dichloro-5-fluoropyridine-3-carboxylate.
Physical properties about 3-Pyridinecarboxylicacid, 2,6-dichloro-5-fluoro-, ethyl ester are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 70; (6)ACD/BCF (pH 7.4): 70; (7)ACD/KOC (pH 5.5): 728; (8)ACD/KOC (pH 7.4): 728; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 50.534 cm3; (15)Molar Volume: 165.168 cm3; (16)Surface Tension: 43.804 dyne/cm; (17)Density: 1.441 g/cm3; (18)Flash Point: 126.523 °C; (19)Enthalpy of Vaporization: 52.465 kJ/mol; (20)Boiling Point: 285.594 °C at 760 mmHg; (21)Vapour Pressure: 0.003 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(C(=O)OCC)c(Cl)nc1Cl
(2) InChI: InChI=1/C8H6Cl2FNO2/c1-2-14-8(13)4-3-5(11)7(10)12-6(4)9/h3H,2H2,1H3
(3) InChIKey: FPPLCOWQBGOFDU-UHFFFAOYAI
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