ethyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate

C18H16F3NO5 — CID 118981548

IUPACethyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2c(n(Cc3ccc(C(F)(F)F)cc3)c1=O)COC2
InChIInChI=1S/C18H16F3NO5/c1-2-27-17(25)14-15(23)12-8-26-9-13(12)22(16(14)24)7-10-3-5-11(6-4-10)18(19,20)21/h3-6,23H,2,7-9H2,1H3
InChIKeyFVIAJIQEYHJZGJ-UHFFFAOYSA-N
MW383.32 g/mol
LogP2.83
Rot. Bonds4

About ethyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate

ethyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate (PubChem CID 118981548) has the molecular formula C18H16F3NO5 and a molecular weight of 383.32 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
PubChem CID118981548
Molecular FormulaC18H16F3NO5
Molecular Weight383.32 g/mol
Exact Mass383.10
IUPAC Nameethyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2c(n(Cc3ccc(C(F)(F)F)cc3)c1=O)COC2
InChIInChI=1S/C18H16F3NO5/c1-2-27-17(25)14-15(23)12-8-26-9-13(12)22(16(14)24)7-10-3-5-11(6-4-10)18(19,20)21/h3-6,23H,2,7-9H2,1H3
InChIKeyFVIAJIQEYHJZGJ-UHFFFAOYSA-N
XLogP2.83
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate (CID 118981548) is ethyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate is CCOC(=O)c1c(O)c2c(n(Cc3ccc(C(F)(F)F)cc3)c1=O)COC2.
What is the InChIKey of ethyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
The InChIKey is FVIAJIQEYHJZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO5/c1-2-27-17(25)14-15(23)12-8-26-9-13(12)22(16(14)24)7-10-3-5-11(6-4-10)18(19,20)21/h3-6,23H,2,7-9H2,1H3.
What are the key properties of ethyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate?
ethyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate has a molecular weight of 383.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 118981548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).