fluoro 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate

C16H14FNO4 — CID 143124448

IUPACfluoro 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate
SMILESCC1C(C(=O)OF)C(=O)c2ccoc2N1Cc1ccccc1
InChIInChI=1S/C16H14FNO4/c1-10-13(16(20)22-17)14(19)12-7-8-21-15(12)18(10)9-11-5-3-2-4-6-11/h2-8,10,13H,9H2,1H3
InChIKeyKOUNPBVOOKXLMS-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.91
Rot. Bonds3

About fluoro 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate

fluoro 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate (PubChem CID 143124448) has the molecular formula C16H14FNO4 and a molecular weight of 303.29 g/mol. Its IUPAC name is fluoro 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namefluoro 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate
PubChem CID143124448
Molecular FormulaC16H14FNO4
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Namefluoro 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate
SMILESCC1C(C(=O)OF)C(=O)c2ccoc2N1Cc1ccccc1
InChIInChI=1S/C16H14FNO4/c1-10-13(16(20)22-17)14(19)12-7-8-21-15(12)18(10)9-11-5-3-2-4-6-11/h2-8,10,13H,9H2,1H3
InChIKeyKOUNPBVOOKXLMS-UHFFFAOYSA-N
XLogP2.91
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate?
The IUPAC name of fluoro 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate (CID 143124448) is fluoro 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for fluoro 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for fluoro 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate is CC1C(C(=O)OF)C(=O)c2ccoc2N1Cc1ccccc1.
What is the InChIKey of fluoro 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate?
The InChIKey is KOUNPBVOOKXLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4/c1-10-13(16(20)22-17)14(19)12-7-8-21-15(12)18(10)9-11-5-3-2-4-6-11/h2-8,10,13H,9H2,1H3.
What are the key properties of fluoro 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate?
fluoro 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate has a molecular weight of 303.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 143124448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).