1-(4,4-difluorobut-3-enyl)-2-oxopyridine-4-carboxylic acid

C10H9F2NO3 — CID 44600742

IUPAC1-(4,4-difluorobut-3-enyl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCC=C(F)F)c(=O)c1
InChIInChI=1S/C10H9F2NO3/c11-8(12)2-1-4-13-5-3-7(10(15)16)6-9(13)14/h2-3,5-6H,1,4H2,(H,15,16)
InChIKeyJVLISEUKJQARTK-UHFFFAOYSA-N
MW229.18 g/mol
LogP1.72
Rot. Bonds4

About 1-(4,4-difluorobut-3-enyl)-2-oxopyridine-4-carboxylic acid

1-(4,4-difluorobut-3-enyl)-2-oxopyridine-4-carboxylic acid (PubChem CID 44600742) has the molecular formula C10H9F2NO3 and a molecular weight of 229.18 g/mol. Its IUPAC name is 1-(4,4-difluorobut-3-enyl)-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4,4-difluorobut-3-enyl)-2-oxopyridine-4-carboxylic acid
PubChem CID44600742
Molecular FormulaC10H9F2NO3
Molecular Weight229.18 g/mol
Exact Mass229.06
IUPAC Name1-(4,4-difluorobut-3-enyl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCC=C(F)F)c(=O)c1
InChIInChI=1S/C10H9F2NO3/c11-8(12)2-1-4-13-5-3-7(10(15)16)6-9(13)14/h2-3,5-6H,1,4H2,(H,15,16)
InChIKeyJVLISEUKJQARTK-UHFFFAOYSA-N
XLogP1.72
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Oxo-5-(trifluoromethyl)pyridin-1(2H)-yl)propanoic acid
CID 2737090
1-(Difluoromethyl)-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 97619175
1-(Difluoromethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 21885875
1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 37134599
2-Oxo-1-(propan-2-yl)-1,2-dihydropyridine-4-carboxylic acid
CID 44600733
1,3-Dimethyl-2-oxopyridine-4-carboxylic acid
CID 59067458
1-Ethyl-5-fluoro-6-oxopyridine-3-carboxylic acid
CID 21885833
1-(2,2-Difluoroethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 21885835
1-(Difluoromethyl)-5-methyl-6-oxopyridine-3-carboxylic acid
CID 21885939
1-(3-Fluoropropyl)-1,2-dihydro-2-oxo-4-pyridinecarboxylic acid
CID 44600577
2-Oxo-1-(4,4,4-trifluoro-2-methylbutyl)pyridine-4-carboxylic acid
CID 44600578
1-(2-Fluoroethyl)-2-oxopyridine-4-carboxylic acid
CID 44600737

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorobut-3-enyl)-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-(4,4-difluorobut-3-enyl)-2-oxopyridine-4-carboxylic acid (CID 44600742) is 1-(4,4-difluorobut-3-enyl)-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-(4,4-difluorobut-3-enyl)-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-(4,4-difluorobut-3-enyl)-2-oxopyridine-4-carboxylic acid is O=C(O)c1ccn(CCC=C(F)F)c(=O)c1.
What is the InChIKey of 1-(4,4-difluorobut-3-enyl)-2-oxopyridine-4-carboxylic acid?
The InChIKey is JVLISEUKJQARTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO3/c11-8(12)2-1-4-13-5-3-7(10(15)16)6-9(13)14/h2-3,5-6H,1,4H2,(H,15,16).
What are the key properties of 1-(4,4-difluorobut-3-enyl)-2-oxopyridine-4-carboxylic acid?
1-(4,4-difluorobut-3-enyl)-2-oxopyridine-4-carboxylic acid has a molecular weight of 229.18 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorobut-3-enyl)-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 44600742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).