-
Name
3-FLUORO-PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER
- EINECS
- CAS No. 869108-35-0
- Article Data3
- CAS DataBase
- Density 1.243 g/cm3
- Solubility
- Melting Point
- Formula C7H6FNO2
- Boiling Point 228.8 °C at 760 mmHg
- Molecular Weight 155.13
- Flash Point 92.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms methyl 3-fluoropyridine-2-carboxylate
- PSA 39.19000
- LogP 1.00730
2-Pyridinecarboxylicacid, 3-fluoro-, methyl ester Specification
The 2-Pyridinecarboxylicacid, 3-fluoro-, methyl ester, with CAS registry number 869108-35-0, has the systematic name of Methyl 3-fluoropyridine-2-carboxylate. Besides this, it is also called 3-Fluoro-pyridine-2-carboxylic acid methyl ester. This chemical should be stored at room temperature. And the chemical formula of this chemical is C7H6FNO2.
Physical properties of 2-Pyridinecarboxylicacid, 3-fluoro-, methyl ester: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.25; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.41; (8)ACD/KOC (pH 7.4): 32.41; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 36.11 cm3; (15)Molar Volume: 124.7 cm3; (16)Polarizability: 14.31×10-24cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.243 g/cm3; (19)Flash Point: 92.2 °C; (20)Enthalpy of Vaporization: 46.54 kJ/mol; (21)Boiling Point: 228.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0719 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1c(cccn1)F
(2)InChI: InChI=1/C7H6FNO2/c1-11-7(10)6-5(8)3-2-4-9-6/h2-4H,1H3
(3)InChIKey: CZBVTGOJEKVWBB-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H6FNO2/c1-11-7(10)6-5(8)3-2-4-9-6/h2-4H,1H3
(5)Std. InChIKey: CZBVTGOJEKVWBB-UHFFFAOYSA-N
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