ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate

C11H12F3NO4 — CID 134663138

IUPACethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(OC)c(OC(F)(F)F)c(C)n1
InChIInChI=1S/C11H12F3NO4/c1-4-18-10(16)7-5-8(17-3)9(6(2)15-7)19-11(12,13)14/h5H,4H2,1-3H3
InChIKeyCSOMQDCJTBYFCD-UHFFFAOYSA-N
MW279.21 g/mol
LogP2.47
Rot. Bonds4

About ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate

ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 134663138) has the molecular formula C11H12F3NO4 and a molecular weight of 279.21 g/mol. Its IUPAC name is ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID134663138
Molecular FormulaC11H12F3NO4
Molecular Weight279.21 g/mol
Exact Mass279.07
IUPAC Nameethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(OC)c(OC(F)(F)F)c(C)n1
InChIInChI=1S/C11H12F3NO4/c1-4-18-10(16)7-5-8(17-3)9(6(2)15-7)19-11(12,13)14/h5H,4H2,1-3H3
InChIKeyCSOMQDCJTBYFCD-UHFFFAOYSA-N
XLogP2.47
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134679723
ethyl 4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134662339
ethyl 4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660433
[4-methoxy-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134670225
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668307
ethyl 6-(chloromethyl)-5-fluoro-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680363
methyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660206
ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096570
ethyl 2-[6-iodo-4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134661495
ethyl 3-hydroxy-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666742
ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134680122
ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate
CID 171065916

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate (CID 134663138) is ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate is CCOC(=O)c1cc(OC)c(OC(F)(F)F)c(C)n1.
What is the InChIKey of ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is CSOMQDCJTBYFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO4/c1-4-18-10(16)7-5-8(17-3)9(6(2)15-7)19-11(12,13)14/h5H,4H2,1-3H3.
What are the key properties of ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate?
ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate has a molecular weight of 279.21 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 134663138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).