ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate

C10H10F3NO4 — CID 134680335

IUPACethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(O)c(C)c1OC(F)(F)F
InChIInChI=1S/C10H10F3NO4/c1-3-17-9(16)7-8(18-10(11,12)13)5(2)6(15)4-14-7/h4,15H,3H2,1-2H3
InChIKeyZRLLRFXISQEQRY-UHFFFAOYSA-N
MW265.19 g/mol
LogP2.17
Rot. Bonds3

About ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate

ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 134680335) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID134680335
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Nameethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(O)c(C)c1OC(F)(F)F
InChIInChI=1S/C10H10F3NO4/c1-3-17-9(16)7-8(18-10(11,12)13)5(2)6(15)4-14-7/h4,15H,3H2,1-2H3
InChIKeyZRLLRFXISQEQRY-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

ethyl 4-(chloromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680721
ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665521
ethyl 3-methyl-5-nitro-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677650
ethyl 3-hydroxy-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666742
ethyl 4-(bromomethyl)-5-iodo-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134678471
ethyl 5-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134672833
methyl 5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 133085417
ethyl 3-hydroxy-4-nitro-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680855
ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103341
ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 133087391
ethyl 3-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134664441
ethyl 2-[5-hydroxy-2-nitro-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134661613

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate (CID 134680335) is ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate is CCOC(=O)c1ncc(O)c(C)c1OC(F)(F)F.
What is the InChIKey of ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is ZRLLRFXISQEQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c1-3-17-9(16)7-8(18-10(11,12)13)5(2)6(15)4-14-7/h4,15H,3H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate?
ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-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-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 134680335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).