methyl 5-[(5-fluoro-2-oxo-1-pyridinyl)methyl]-2-methylfuran-3-carboxylate

C13H12FNO4 — CID 100678716

IUPACmethyl 5-[(5-fluoro-2-oxo-1-pyridinyl)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(Cn2cc(F)ccc2=O)oc1C
InChIInChI=1S/C13H12FNO4/c1-8-11(13(17)18-2)5-10(19-8)7-15-6-9(14)3-4-12(15)16/h3-6H,7H2,1-2H3
InChIKeyKGZZMDOIVCZZCN-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.72
Rot. Bonds3

About methyl 5-[(5-fluoro-2-oxo-1-pyridinyl)methyl]-2-methylfuran-3-carboxylate

methyl 5-[(5-fluoro-2-oxo-1-pyridinyl)methyl]-2-methylfuran-3-carboxylate (PubChem CID 100678716) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is methyl 5-[(5-fluoro-2-oxo-1-pyridinyl)methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(5-fluoro-2-oxo-1-pyridinyl)methyl]-2-methylfuran-3-carboxylate
PubChem CID100678716
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Namemethyl 5-[(5-fluoro-2-oxo-1-pyridinyl)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(Cn2cc(F)ccc2=O)oc1C
InChIInChI=1S/C13H12FNO4/c1-8-11(13(17)18-2)5-10(19-8)7-15-6-9(14)3-4-12(15)16/h3-6H,7H2,1-2H3
InChIKeyKGZZMDOIVCZZCN-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(5-fluoro-2-oxo-1-pyridinyl)methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(5-fluoro-2-oxo-1-pyridinyl)methyl]-2-methylfuran-3-carboxylate (CID 100678716) is methyl 5-[(5-fluoro-2-oxo-1-pyridinyl)methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(5-fluoro-2-oxo-1-pyridinyl)methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(5-fluoro-2-oxo-1-pyridinyl)methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(Cn2cc(F)ccc2=O)oc1C.
What is the InChIKey of methyl 5-[(5-fluoro-2-oxo-1-pyridinyl)methyl]-2-methylfuran-3-carboxylate?
The InChIKey is KGZZMDOIVCZZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c1-8-11(13(17)18-2)5-10(19-8)7-15-6-9(14)3-4-12(15)16/h3-6H,7H2,1-2H3.
What are the key properties of methyl 5-[(5-fluoro-2-oxo-1-pyridinyl)methyl]-2-methylfuran-3-carboxylate?
methyl 5-[(5-fluoro-2-oxo-1-pyridinyl)methyl]-2-methylfuran-3-carboxylate has a molecular weight of 265.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(5-fluoro-2-oxo-1-pyridinyl)methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 100678716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).