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

C12H14F3NO3 — CID 68683222

IUPACethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(C(F)(F)F)nc1OCC
InChIInChI=1S/C12H14F3NO3/c1-4-18-10-9(11(17)19-5-2)7(3)6-8(16-10)12(13,14)15/h6H,4-5H2,1-3H3
InChIKeyHTDJYHHHCDTSGX-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.98
Rot. Bonds4

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

ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 68683222) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID68683222
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Nameethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(C(F)(F)F)nc1OCC
InChIInChI=1S/C12H14F3NO3/c1-4-18-10-9(11(17)19-5-2)7(3)6-8(16-10)12(13,14)15/h6H,4-5H2,1-3H3
InChIKeyHTDJYHHHCDTSGX-UHFFFAOYSA-N
XLogP2.98
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 69019134
ethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 68681447
ethyl 2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134673829
ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate
CID 165455745
ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134680122
ethyl 4-methyl-6-nitro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677654
ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 10687624
ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 134681879
ethyl 3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134664378
ethyl 4-nitro-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133096774
2-[chloro(difluoro)methyl]-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 165455749
ethyl 4-hydroxy-3-iodo-6-methyl-2-(trifluoromethyl)benzoate
CID 134907693

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (CID 68683222) is ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(C)cc(C(F)(F)F)nc1OCC.
What is the InChIKey of ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is HTDJYHHHCDTSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-4-18-10-9(11(17)19-5-2)7(3)6-8(16-10)12(13,14)15/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 277.24 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 68683222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).