methyl 4-oxo-6-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate

C10H6F3NO4 — CID 3452219

IUPACmethyl 4-oxo-6-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(=O)cc(C(F)(F)F)[nH]c2o1
InChIInChI=1S/C10H6F3NO4/c1-17-9(16)6-2-4-5(15)3-7(10(11,12)13)14-8(4)18-6/h2-3H,1H3,(H,14,15)
InChIKeyGVLGEIBBRVFSKV-UHFFFAOYSA-N
MW261.15 g/mol
LogP1.93
Rot. Bonds1

About methyl 4-oxo-6-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate

methyl 4-oxo-6-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate (PubChem CID 3452219) has the molecular formula C10H6F3NO4 and a molecular weight of 261.15 g/mol. Its IUPAC name is methyl 4-oxo-6-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-6-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate
PubChem CID3452219
Molecular FormulaC10H6F3NO4
Molecular Weight261.15 g/mol
Exact Mass261.02
IUPAC Namemethyl 4-oxo-6-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(=O)cc(C(F)(F)F)[nH]c2o1
InChIInChI=1S/C10H6F3NO4/c1-17-9(16)6-2-4-5(15)3-7(10(11,12)13)14-8(4)18-6/h2-3H,1H3,(H,14,15)
InChIKeyGVLGEIBBRVFSKV-UHFFFAOYSA-N
XLogP1.93
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-6-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 4-oxo-6-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate (CID 3452219) is methyl 4-oxo-6-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-oxo-6-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-oxo-6-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate is COC(=O)c1cc2c(=O)cc(C(F)(F)F)[nH]c2o1.
What is the InChIKey of methyl 4-oxo-6-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate?
The InChIKey is GVLGEIBBRVFSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO4/c1-17-9(16)6-2-4-5(15)3-7(10(11,12)13)14-8(4)18-6/h2-3H,1H3,(H,14,15).
What are the key properties of methyl 4-oxo-6-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate?
methyl 4-oxo-6-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate has a molecular weight of 261.15 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-6-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 3452219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).