ethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate

C10H10F3NO4 — CID 134665740

IUPACethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(O)c(OC(F)(F)F)nc1C
InChIInChI=1S/C10H10F3NO4/c1-3-17-9(16)6-4-7(15)8(14-5(6)2)18-10(11,12)13/h4,15H,3H2,1-2H3
InChIKeySCNXGGMWSNOKIQ-UHFFFAOYSA-N
MW265.19 g/mol
LogP2.17
Rot. Bonds3

About ethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate

ethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 134665740) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID134665740
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Nameethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(O)c(OC(F)(F)F)nc1C
InChIInChI=1S/C10H10F3NO4/c1-3-17-9(16)6-4-7(15)8(14-5(6)2)18-10(11,12)13/h4,15H,3H2,1-2H3
InChIKeySCNXGGMWSNOKIQ-UHFFFAOYSA-N
XLogP2.17
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-hydroxy-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134658771
ethyl 2-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134668367
ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 134681879
ethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134660436
ethyl 5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677568
ethyl 5-(bromomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134682872
methyl 5-methoxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134670013
ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134667290
ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 133085466
ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134682536
ethyl 5-(bromomethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134676575
ethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 133096589

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate (CID 134665740) is ethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate is CCOC(=O)c1cc(O)c(OC(F)(F)F)nc1C.
What is the InChIKey of ethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is SCNXGGMWSNOKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c1-3-17-9(16)6-4-7(15)8(14-5(6)2)18-10(11,12)13/h4,15H,3H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate?
ethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate has a molecular weight of 265.19 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134665740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).