2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid

C17H18FNO3 — CID 82519501

IUPAC2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid
SMILESCC(C)Cn1c(-c2ccc(F)cc2)ccc(CC(=O)O)c1=O
InChIInChI=1S/C17H18FNO3/c1-11(2)10-19-15(12-3-6-14(18)7-4-12)8-5-13(17(19)22)9-16(20)21/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeyRAUWFKWKYMQWGY-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.94
Rot. Bonds5

About 2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid

2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid (PubChem CID 82519501) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid
PubChem CID82519501
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid
SMILESCC(C)Cn1c(-c2ccc(F)cc2)ccc(CC(=O)O)c1=O
InChIInChI=1S/C17H18FNO3/c1-11(2)10-19-15(12-3-6-14(18)7-4-12)8-5-13(17(19)22)9-16(20)21/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeyRAUWFKWKYMQWGY-UHFFFAOYSA-N
XLogP2.94
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519507
6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbohydrazide
CID 82519493
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519259
2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid
CID 82521071
1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
CID 82099701
3-(hydroxymethyl)-1-(2-methylpropyl)-6-(4-nitrophenyl)pyridin-2-one
CID 82516944
1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride
CID 82521125
2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid
CID 82520595
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930
3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
CID 82519561
1-butyl-3-(chloromethyl)-6-(4-fluorophenyl)pyridin-2-one
CID 82519520
6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 82099792

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid (CID 82519501) is 2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid is CC(C)Cn1c(-c2ccc(F)cc2)ccc(CC(=O)O)c1=O.
What is the InChIKey of 2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid?
The InChIKey is RAUWFKWKYMQWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-11(2)10-19-15(12-3-6-14(18)7-4-12)8-5-13(17(19)22)9-16(20)21/h3-8,11H,9-10H2,1-2H3,(H,20,21).
What are the key properties of 2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid?
2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid has a molecular weight of 303.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid is sourced from PubChem (CID 82519501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).