(2-oxo-1H-pyridin-3-yl) furan-2-carboxylate

C10H7NO4 — CID 44583499

IUPAC(2-oxo-1H-pyridin-3-yl) furan-2-carboxylate
SMILESO=C(Oc1ccc[nH]c1=O)c1ccco1
InChIInChI=1S/C10H7NO4/c12-9-7(3-1-5-11-9)15-10(13)8-4-2-6-14-8/h1-6H,(H,11,12)
InChIKeyHJIIRRYGVFUWGQ-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.19
Rot. Bonds2

About (2-oxo-1H-pyridin-3-yl) furan-2-carboxylate

(2-oxo-1H-pyridin-3-yl) furan-2-carboxylate (PubChem CID 44583499) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is (2-oxo-1H-pyridin-3-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-1H-pyridin-3-yl) furan-2-carboxylate
PubChem CID44583499
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name(2-oxo-1H-pyridin-3-yl) furan-2-carboxylate
SMILESO=C(Oc1ccc[nH]c1=O)c1ccco1
InChIInChI=1S/C10H7NO4/c12-9-7(3-1-5-11-9)15-10(13)8-4-2-6-14-8/h1-6H,(H,11,12)
InChIKeyHJIIRRYGVFUWGQ-UHFFFAOYSA-N
XLogP1.19
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-hydroxynaphthalen-1-yl) furan-2-carboxylate
CID 7314053
[2-(2,6-difluorobenzoyl)oxyphenyl] furan-2-carboxylate
CID 91716966
[2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate
CID 91715138
[2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate
CID 91700525
(2,4-dichlorophenyl) furan-2-carboxylate
CID 3880755
[2-(furan-2-carbonylamino)-3-pyridinyl] furan-2-carboxylate
CID 17018639
(3-chloro-4-pyridinyl) furan-2-carboxylate
CID 23182895
[3-bromo-4-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
CID 1097530
[2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] furan-2-carboxylate
CID 5127698
[2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate
CID 91700704
[2-(propanoylamino)phenyl] furan-2-carboxylate
CID 23010896
(2-prop-2-ynoxycarbonyloxyphenyl) furan-2-carboxylate
CID 91700644

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-pyridin-3-yl) furan-2-carboxylate?
The IUPAC name of (2-oxo-1H-pyridin-3-yl) furan-2-carboxylate (CID 44583499) is (2-oxo-1H-pyridin-3-yl) furan-2-carboxylate.
What is the SMILES notation for (2-oxo-1H-pyridin-3-yl) furan-2-carboxylate?
The canonical SMILES for (2-oxo-1H-pyridin-3-yl) furan-2-carboxylate is O=C(Oc1ccc[nH]c1=O)c1ccco1.
What is the InChIKey of (2-oxo-1H-pyridin-3-yl) furan-2-carboxylate?
The InChIKey is HJIIRRYGVFUWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-9-7(3-1-5-11-9)15-10(13)8-4-2-6-14-8/h1-6H,(H,11,12).
What are the key properties of (2-oxo-1H-pyridin-3-yl) furan-2-carboxylate?
(2-oxo-1H-pyridin-3-yl) furan-2-carboxylate has a molecular weight of 205.17 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-pyridin-3-yl) furan-2-carboxylate is sourced from PubChem (CID 44583499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).