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CAS No.: | 39073-14-8 |
---|---|
Name: | 2-Chloro-6-methyl-3-pyridinecarboxylic acid ethyl ester |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C9H10ClNO2 |
Molecular Weight: | 199.637 |
Synonyms: | 2-Chloro-6-methyl-3-pyridinecarboxylic acid ethyl ester; |
Density: | 1.207 |
Melting Point: | 27-29 oC |
Boiling Point: | 269 oC |
Flash Point: | 117 oC |
PSA: | 39.19000 |
LogP: | 2.22010 |
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Molecular Structure of Ethyl 2-chloro-6-methylnicotinate (CAS NO.39073-14-8):
IUPAC Name: Ethyl 2-chloro-6-methylpyridine-3-carboxylate
Canonical SMILES: CCOC(=O)C1=C(N=C(C=C1)C)Cl
InChI: InChI=1S/C9H10ClNO2/c1-3-13-9(12)7-5-4-6(2)11-8(7)10/h4-5H,3H2,1-2H3
InChIKey: MRPGVPAVDMEQED-UHFFFAOYSA-N
Molecular Weight: 199.6342 [g/mol]
Molecular Formula: C9H10ClNO2
XLogP3-AA: 2.4
H-Bond Donor: 0
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 4
Exact Mass: 199.040006
MonoIsotopic Mass: 199.040006
Topological Polar Surface Area: 39.2
Heavy Atom Count: 13
Complexity: 187
Index of Refraction: 1.523
Molar Refractivity: 50.47 cm3
Molar Volume: 165.283 cm3
Surface Tension: 41.524 dyne/cm
Density: 1.208 g/cm3
Flash Point: 116.818 °C
Enthalpy of Vaporization: 50.768 kJ/mol
Boiling Point: 269.546 °C at 760 mmHg
Vapour Pressure: 0.007 mmHg at 25 °C
Product Categories: pharmacetical
Ethyl 2-chloro-6-methylnicotinate (CAS NO.39073-14-8), its Synonyms are 2-Chloro-6-methyl-3-pyridinecarboxylic acid ethyl ester ; 3-Pyridinecarboxylic acid, 2-chloro-6-methyl-, ethyl ester ; Ethyl 2-chloro-6-methyl-3-pyridinecarboxylate .