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

C11H9F2NO4 — CID 91927001

IUPACethyl 4-(difluoromethyl)-6-oxo-7H-furo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(C(F)F)cc(=O)[nH]c2o1
InChIInChI=1S/C11H9F2NO4/c1-2-17-11(16)7-3-6-5(9(12)13)4-8(15)14-10(6)18-7/h3-4,9H,2H2,1H3,(H,14,15)
InChIKeyRICRDCQTPDLUSS-UHFFFAOYSA-N
MW257.19 g/mol
LogP2.24
Rot. Bonds3

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

ethyl 4-(difluoromethyl)-6-oxo-7H-furo[2,3-b]pyridine-2-carboxylate (PubChem CID 91927001) has the molecular formula C11H9F2NO4 and a molecular weight of 257.19 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-6-oxo-7H-furo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-6-oxo-7H-furo[2,3-b]pyridine-2-carboxylate
PubChem CID91927001
Molecular FormulaC11H9F2NO4
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Nameethyl 4-(difluoromethyl)-6-oxo-7H-furo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(C(F)F)cc(=O)[nH]c2o1
InChIInChI=1S/C11H9F2NO4/c1-2-17-11(16)7-3-6-5(9(12)13)4-8(15)14-10(6)18-7/h3-4,9H,2H2,1H3,(H,14,15)
InChIKeyRICRDCQTPDLUSS-UHFFFAOYSA-N
XLogP2.24
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-6-oxo-7H-furo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-6-oxo-7H-furo[2,3-b]pyridine-2-carboxylate (CID 91927001) is ethyl 4-(difluoromethyl)-6-oxo-7H-furo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-6-oxo-7H-furo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-6-oxo-7H-furo[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1cc2c(C(F)F)cc(=O)[nH]c2o1.
What is the InChIKey of ethyl 4-(difluoromethyl)-6-oxo-7H-furo[2,3-b]pyridine-2-carboxylate?
The InChIKey is RICRDCQTPDLUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO4/c1-2-17-11(16)7-3-6-5(9(12)13)4-8(15)14-10(6)18-7/h3-4,9H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 4-(difluoromethyl)-6-oxo-7H-furo[2,3-b]pyridine-2-carboxylate?
ethyl 4-(difluoromethyl)-6-oxo-7H-furo[2,3-b]pyridine-2-carboxylate has a molecular weight of 257.19 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethyl)-6-oxo-7H-furo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 91927001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).