4-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid

C16H16FNO4 — CID 82056184

IUPAC4-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid
SMILESO=C(O)CCCn1cccc(OCc2ccccc2F)c1=O
InChIInChI=1S/C16H16FNO4/c17-13-6-2-1-5-12(13)11-22-14-7-3-9-18(16(14)21)10-4-8-15(19)20/h1-3,5-7,9H,4,8,10-11H2,(H,19,20)
InChIKeyJKZWDGCEUULCNQ-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.43
Rot. Bonds7

About 4-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid

4-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid (PubChem CID 82056184) has the molecular formula C16H16FNO4 and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid
PubChem CID82056184
Molecular FormulaC16H16FNO4
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC Name4-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid
SMILESO=C(O)CCCn1cccc(OCc2ccccc2F)c1=O
InChIInChI=1S/C16H16FNO4/c17-13-6-2-1-5-12(13)11-22-14-7-3-9-18(16(14)21)10-4-8-15(19)20/h1-3,5-7,9H,4,8,10-11H2,(H,19,20)
InChIKeyJKZWDGCEUULCNQ-UHFFFAOYSA-N
XLogP2.43
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Benzyloxy)-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid
CID 3759703
5-[(3,4-Difluorobenzyl)oxy]-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid
CID 4207788
5-[(2-fluorobenzyl)oxy]-2-(pyrrolidin-1-ylcarbonyl)-4H-pyran-4-one
CID 49656174
3-(benzyloxy)-1-(3-hydroxypropyl)pyridin-2(1H)-one
CID 11482333
3-Benzyloxy-1-(3'-carboxypropyl)-2-methyl-pyridin-4-one
CID 14956301
3-Benzyloxy-4-ethoxycarbonyl-6-methyl-1-tert-butyloxycarbonylmethyl-2-pyridinone
CID 23000159
3-Benzyloxy-1-carboxymethyl-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 90156305
3-Benzyloxy-1-carboxymethyl-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid ethyl ester
CID 122441506
5-((4-fluorobenzyl)oxy)-2-(pyrrolidine-1-carbonyl)-4H-pyran-4-one
CID 42227166
[(2S)-1-[4-[[5-[(3-fluorophenyl)methoxy]-4-oxopyran-2-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl] acetate
CID 132460219
4-[2-[(4-Fluorophenyl)-hydroxymethyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]butanoic acid
CID 21474388
4-[[2-[(4-Fluorophenyl)methoxy]acetyl]amino]butanoic acid
CID 58757080

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid?
The IUPAC name of 4-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid (CID 82056184) is 4-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid?
The canonical SMILES for 4-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid is O=C(O)CCCn1cccc(OCc2ccccc2F)c1=O.
What is the InChIKey of 4-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid?
The InChIKey is JKZWDGCEUULCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4/c17-13-6-2-1-5-12(13)11-22-14-7-3-9-18(16(14)21)10-4-8-15(19)20/h1-3,5-7,9H,4,8,10-11H2,(H,19,20).
What are the key properties of 4-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid?
4-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid has a molecular weight of 305.31 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid is sourced from PubChem (CID 82056184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).