2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid

C12H16FNO3 — CID 139579980

IUPAC2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid
SMILESCc1cc(=O)n(C(CC(C)C)C(=O)O)cc1F
InChIInChI=1S/C12H16FNO3/c1-7(2)4-10(12(16)17)14-6-9(13)8(3)5-11(14)15/h5-7,10H,4H2,1-3H3,(H,16,17)
InChIKeyULCXUINXWBDFBU-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.97
Rot. Bonds4

About 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid

2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid (PubChem CID 139579980) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid
PubChem CID139579980
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid
SMILESCc1cc(=O)n(C(CC(C)C)C(=O)O)cc1F
InChIInChI=1S/C12H16FNO3/c1-7(2)4-10(12(16)17)14-6-9(13)8(3)5-11(14)15/h5-7,10H,4H2,1-3H3,(H,16,17)
InChIKeyULCXUINXWBDFBU-UHFFFAOYSA-N
XLogP1.97
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoate
CID 139579632
2-[5-[2-(3-Fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 139579648
2-[5-[(3,3-Difluoroazetidin-1-yl)methyl]-2-oxopyridin-1-yl]-4-methylpentanoic acid
CID 139579691
2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 139579807
2-[5-[(3-Fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 139579809
2-[3-(Difluoromethyl)-5-[2-(dimethylamino)ethyl]-2-oxopyridin-1-yl]-4-methylpentanoic acid
CID 139579828
2-[5-[(3-Fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 139579845
2-[5-[2-(Dimethylamino)ethyl]-2-oxo-4-(trifluoromethyl)pyridin-1-yl]-4-methylpentanoic acid
CID 139579943
(2S)-4-methyl-2-[2-oxo-4-(trifluoromethyl)pyridin-1-yl]pentanoic acid
CID 139580060
4-Methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoic acid
CID 139580061
2-[5-[2-(3-Fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 139580146
2-(5-Fluoro-4-methyl-2-oxo-1-pyridinyl)-2-(hydroxymethyl)-4-methylpentanal
CID 146182869

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid?
The IUPAC name of 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid (CID 139579980) is 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid?
The canonical SMILES for 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid is Cc1cc(=O)n(C(CC(C)C)C(=O)O)cc1F.
What is the InChIKey of 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid?
The InChIKey is ULCXUINXWBDFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-7(2)4-10(12(16)17)14-6-9(13)8(3)5-11(14)15/h5-7,10H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid?
2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid has a molecular weight of 241.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-4-methyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid is sourced from PubChem (CID 139579980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).