ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate

C10H7F6NO4 — CID 134667290

IUPACethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(OC(F)(F)F)nc(C(F)(F)F)c1O
InChIInChI=1S/C10H7F6NO4/c1-2-20-8(19)4-3-5(21-10(14,15)16)17-7(6(4)18)9(11,12)13/h3,18H,2H2,1H3
InChIKeyVRDQZTVTXFQPNR-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.88
Rot. Bonds3

About ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate

ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate (PubChem CID 134667290) has the molecular formula C10H7F6NO4 and a molecular weight of 319.16 g/mol. Its IUPAC name is ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
PubChem CID134667290
Molecular FormulaC10H7F6NO4
Molecular Weight319.16 g/mol
Exact Mass319.03
IUPAC Nameethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(OC(F)(F)F)nc(C(F)(F)F)c1O
InChIInChI=1S/C10H7F6NO4/c1-2-20-8(19)4-3-5(21-10(14,15)16)17-7(6(4)18)9(11,12)13/h3,18H,2H2,1H3
InChIKeyVRDQZTVTXFQPNR-UHFFFAOYSA-N
XLogP2.88
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(bromomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134667861
ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate
CID 134679532
ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134680125
ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate
CID 134682047
ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 171028932
ethyl 4-amino-3-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 133087422
ethyl 5-bromo-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 171029018
ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660628
ethyl 5-(bromomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134682872
ethyl 2-(bromomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134668756
ethyl 2-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134679137
ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 133085466

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate (CID 134667290) is ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate is CCOC(=O)c1cc(OC(F)(F)F)nc(C(F)(F)F)c1O.
What is the InChIKey of ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate?
The InChIKey is VRDQZTVTXFQPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO4/c1-2-20-8(19)4-3-5(21-10(14,15)16)17-7(6(4)18)9(11,12)13/h3,18H,2H2,1H3.
What are the key properties of ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate?
ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate has a molecular weight of 319.16 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 134667290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).