3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid

C15H11FN2O3 — CID 82099191

IUPAC3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid
SMILESN#Cc1ccc(-c2ccc(F)cc2)n(CCC(=O)O)c1=O
InChIInChI=1S/C15H11FN2O3/c16-12-4-1-10(2-5-12)13-6-3-11(9-17)15(21)18(13)8-7-14(19)20/h1-6H,7-8H2,(H,19,20)
InChIKeyGCWRSSDNWXPUSL-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.00
Rot. Bonds4

About 3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid

3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid (PubChem CID 82099191) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid
PubChem CID82099191
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid
SMILESN#Cc1ccc(-c2ccc(F)cc2)n(CCC(=O)O)c1=O
InChIInChI=1S/C15H11FN2O3/c16-12-4-1-10(2-5-12)13-6-3-11(9-17)15(21)18(13)8-7-14(19)20/h1-6H,7-8H2,(H,19,20)
InChIKeyGCWRSSDNWXPUSL-UHFFFAOYSA-N
XLogP2.00
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CID 1488311
1-[(3-Fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 3243885
2-Oxo-6-phenyl-1-(2-propynyl)-1,2-dihydro-3-pyridinecarbonitrile
CID 1488312
1-[(2-Fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 2746403
1-Allyl-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile
CID 1488306
1-(4-Fluorobenzyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 3243222
2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide
CID 6488608
1-(2-Fluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 16896687
3-[(3,4-Difluorophenyl)methyl-propanoylamino]propanoic acid
CID 84589176
1-Methyl-2-oxo-6-phenyl-4-(trifluoromethyl)hydropyridine-3-carbonitrile
CID 3607846
1-(3-Fluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 16896682
1-(4-Fluoro-benzyl)-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid
CID 16896683

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid?
The IUPAC name of 3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid (CID 82099191) is 3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid?
The canonical SMILES for 3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid is N#Cc1ccc(-c2ccc(F)cc2)n(CCC(=O)O)c1=O.
What is the InChIKey of 3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid?
The InChIKey is GCWRSSDNWXPUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-12-4-1-10(2-5-12)13-6-3-11(9-17)15(21)18(13)8-7-14(19)20/h1-6H,7-8H2,(H,19,20).
What are the key properties of 3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid?
3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid has a molecular weight of 286.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid is sourced from PubChem (CID 82099191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).