ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

C16H13F4NO2 — CID 10687624

IUPACethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)cc(C(F)(F)F)nc1C
InChIInChI=1S/C16H13F4NO2/c1-3-23-15(22)14-9(2)21-13(16(18,19)20)8-12(14)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3
InChIKeyXWGCLCSKQDYQQQ-UHFFFAOYSA-N
MW327.28 g/mol
LogP4.39
Rot. Bonds3

About ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 10687624) has the molecular formula C16H13F4NO2 and a molecular weight of 327.28 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID10687624
Molecular FormulaC16H13F4NO2
Molecular Weight327.28 g/mol
Exact Mass327.09
IUPAC Nameethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)cc(C(F)(F)F)nc1C
InChIInChI=1S/C16H13F4NO2/c1-3-23-15(22)14-9(2)21-13(16(18,19)20)8-12(14)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3
InChIKeyXWGCLCSKQDYQQQ-UHFFFAOYSA-N
XLogP4.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate
CID 165455745
ethyl 2-chloro-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 163743025
ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 132563026
ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199500
ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 68683222
ethyl 6-(4-fluorophenyl)-2-hydroxy-3,4-diphenylbenzoate
CID 132550879
ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
CID 11594733
ethyl 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylacetate
CID 2980973
ethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 68681447
ethyl 5-(4-fluorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 90717630
ethyl 2-methyl-6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine-3-carboxylate
CID 76852879
ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate
CID 142425833

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (CID 10687624) is ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)cc(C(F)(F)F)nc1C.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is XWGCLCSKQDYQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO2/c1-3-23-15(22)14-9(2)21-13(16(18,19)20)8-12(14)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 327.28 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 10687624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).