5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one

C13H13FN2O2 — CID 134177563

IUPAC5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one
SMILESC=C(Nc1cccc(F)c1)C1=C(O)CCNC1=O
InChIInChI=1S/C13H13FN2O2/c1-8(12-11(17)5-6-15-13(12)18)16-10-4-2-3-9(14)7-10/h2-4,7,16-17H,1,5-6H2,(H,15,18)
InChIKeyGDXLQQLBSRSGKP-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.08
Rot. Bonds3

About 5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one

5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one (PubChem CID 134177563) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one
PubChem CID134177563
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one
SMILESC=C(Nc1cccc(F)c1)C1=C(O)CCNC1=O
InChIInChI=1S/C13H13FN2O2/c1-8(12-11(17)5-6-15-13(12)18)16-10-4-2-3-9(14)7-10/h2-4,7,16-17H,1,5-6H2,(H,15,18)
InChIKeyGDXLQQLBSRSGKP-UHFFFAOYSA-N
XLogP2.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-allyl-5-chloro-2-oxo-N-phenyl-1,2-dihydro-3-pyridinecarboxamide
CID 1486142
3-acetamido-N-(4-fluoro-2-methylphenyl)propanamide
CID 2438691
4-(2-Fluoro-4-iodoanilino)-6-oxo-1-propylpyridine-3-carboxamide
CID 11165914
4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 11166713
1-Allyl-4-(2-fluoro-4-iodoanilino)-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 11177427
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 11189634
4-(2-fluoro-4-iodoanilino)-N,N,1-trimethyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 11269976
4-(2-Fluoro-4-iodoanilino)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 11338183
4-(2-fluoro-4-iodoanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 11372988
4-(2-fluoro-4-iodoanilino)-6-oxo-1H-pyridine-3-carboxamide
CID 11406147
1-Ethyl-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxamide
CID 11429515
5-chloro-N-(4-fluorophenyl)-6-hydroxynicotinamide
CID 47293680

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one (CID 134177563) is 5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one is C=C(Nc1cccc(F)c1)C1=C(O)CCNC1=O.
What is the InChIKey of 5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is GDXLQQLBSRSGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8(12-11(17)5-6-15-13(12)18)16-10-4-2-3-9(14)7-10/h2-4,7,16-17H,1,5-6H2,(H,15,18).
What are the key properties of 5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one?
5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 248.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 134177563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).