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

C11H13BrFNO3 — CID 175087963

IUPAC2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1cc(F)c(Br)cc1=O
InChIInChI=1S/C11H13BrFNO3/c1-6(2)3-9(11(16)17)14-5-8(13)7(12)4-10(14)15/h4-6,9H,3H2,1-2H3,(H,16,17)
InChIKeyFDYAPEWNRCHZNO-UHFFFAOYSA-N
MW306.13 g/mol
LogP2.42
Rot. Bonds4

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

2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoic acid (PubChem CID 175087963) has the molecular formula C11H13BrFNO3 and a molecular weight of 306.13 g/mol. Its IUPAC name is 2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoic acid
PubChem CID175087963
Molecular FormulaC11H13BrFNO3
Molecular Weight306.13 g/mol
Exact Mass305.01
IUPAC Name2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1cc(F)c(Br)cc1=O
InChIInChI=1S/C11H13BrFNO3/c1-6(2)3-9(11(16)17)14-5-8(13)7(12)4-10(14)15/h4-6,9H,3H2,1-2H3,(H,16,17)
InChIKeyFDYAPEWNRCHZNO-UHFFFAOYSA-N
XLogP2.42
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoate
CID 139579791
2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 159489843
2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 139579845
2-(5-bromo-4-methyl-2-oxo-1-pyridinyl)butanoic acid
CID 82146642
(2R)-2-bromo-4-methylpentanoic acid;(2S)-2-(4,5-dimethyl-2-oxo-1-pyridinyl)-4-methylpentanoic acid;4,5-dimethyl-1H-pyridin-2-one;methane
CID 158678513
4-methyl-2-(2-oxo-4-phenoxy-1-pyridinyl)pentanoic acid
CID 67609165
ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid
CID 156728432
4-bromo-5-fluoro-1-methylpyridin-2-one
CID 59635671
(2S)-4-methyl-2-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)pentanoic acid
CID 1179770
2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 175781285
lithium;ethyl 2-[3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate;2-[3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;hydroxide
CID 169430380
lithium;ethyl 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate;2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;hydroxide
CID 162037650

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoic acid?
The IUPAC name of 2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoic acid (CID 175087963) is 2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoic acid?
The canonical SMILES for 2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoic acid is CC(C)CC(C(=O)O)n1cc(F)c(Br)cc1=O.
What is the InChIKey of 2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoic acid?
The InChIKey is FDYAPEWNRCHZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO3/c1-6(2)3-9(11(16)17)14-5-8(13)7(12)4-10(14)15/h4-6,9H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoic acid?
2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoic acid has a molecular weight of 306.13 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-fluoro-2-oxo-1-pyridinyl)-4-methylpentanoic acid is sourced from PubChem (CID 175087963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).