Ethyl 2-Methyl-6-(trifluoromethyl)nicotinate - CAS 380355-65-7
Catalog: |
BB023495 |
Product Name: |
Ethyl 2-Methyl-6-(trifluoromethyl)nicotinate |
CAS: |
380355-65-7 |
Synonyms: |
2-methyl-6-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester; ethyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate |
IUPAC Name: | ethyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate |
Description: | Ethyl 2-Methyl-6-(trifluoromethyl)nicotinate (CAS# 380355-65-7) is a useful research chemical. |
Molecular Weight: | 233.19 |
Molecular Formula: | C10H10F3NO2 |
Canonical SMILES: | CCOC(=O)C1=C(N=C(C=C1)C(F)(F)F)C |
InChI: | InChI=1S/C10H10F3NO2/c1-3-16-9(15)7-4-5-8(10(11,12)13)14-6(7)2/h4-5H,3H2,1-2H3 |
InChI Key: | VWUMOTRXCZMICA-UHFFFAOYSA-N |
Boiling Point: | 229.133 ℃ at 760 mmHg |
Density: | 1.248 g/cm3 |
MDL: | MFCD10688283 |
LogP: | 2.58550 |
Publication Number | Title | Priority Date |
WO-2020146682-A1 | Carboxamides as modulators of sodium channels | 20190110 |
US-10233195-B2 | Anti-fibrotic pyridinones | 20140402 |
US-10544161-B2 | Anti-fibrotic pyridinones | 20140402 |
US-2017121345-A1 | Anti-fibrotic pyridinones | 20140402 |
US-2019144467-A1 | Anti-fibrotic pyridinones | 20140402 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.06636305 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.06636305 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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