5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid

C18H16F2N2O4 — CID 148685272

IUPAC5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC(=O)N2CCCC2)cc(-c2ccc(F)cc2F)c1=O
InChIInChI=1S/C18H16F2N2O4/c19-11-3-4-12(15(20)7-11)13-8-21(9-14(17(13)24)18(25)26)10-16(23)22-5-1-2-6-22/h3-4,7-9H,1-2,5-6,10H2,(H,25,26)
InChIKeyNSKLUEKXJVKWJU-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.11
Rot. Bonds4

About 5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid

5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid (PubChem CID 148685272) has the molecular formula C18H16F2N2O4 and a molecular weight of 362.33 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid
PubChem CID148685272
Molecular FormulaC18H16F2N2O4
Molecular Weight362.33 g/mol
Exact Mass362.11
IUPAC Name5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC(=O)N2CCCC2)cc(-c2ccc(F)cc2F)c1=O
InChIInChI=1S/C18H16F2N2O4/c19-11-3-4-12(15(20)7-11)13-8-21(9-14(17(13)24)18(25)26)10-16(23)22-5-1-2-6-22/h3-4,7-9H,1-2,5-6,10H2,(H,25,26)
InChIKeyNSKLUEKXJVKWJU-UHFFFAOYSA-N
XLogP2.11
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8771330
2-[1-(2,4-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115573568
2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
CID 28582835
5-fluoro-1-(2-oxo-2-piperidin-1-ylethyl)-3H-indol-2-one
CID 155958104
bis[2-(2,4-difluorophenyl)-4-piperidin-1-ylphenyl]methanone
CID 54039561
2-[2-(azetidin-1-yl)-2-oxoethoxy]-4-fluorobenzoic acid
CID 107014541
[5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 53322530
(3S)-1-[2-(2,4-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 81120918
1-[2-(azepan-1-yl)-2-oxoethyl]-6-fluoroquinolin-4-one
CID 100743617
2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid
CID 172914103
N-(2,4-difluorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113133399
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid (CID 148685272) is 5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid is O=C(O)c1cn(CC(=O)N2CCCC2)cc(-c2ccc(F)cc2F)c1=O.
What is the InChIKey of 5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid?
The InChIKey is NSKLUEKXJVKWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O4/c19-11-3-4-12(15(20)7-11)13-8-21(9-14(17(13)24)18(25)26)10-16(23)22-5-1-2-6-22/h3-4,7-9H,1-2,5-6,10H2,(H,25,26).
What are the key properties of 5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid?
5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid has a molecular weight of 362.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-4-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 148685272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).