4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one

C13H11BrF2N2O — CID 90144048

IUPAC4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one
SMILESCc1cn(C)c(=O)c(F)c1Nc1ccc(Br)cc1F
InChIInChI=1S/C13H11BrF2N2O/c1-7-6-18(2)13(19)11(16)12(7)17-10-4-3-8(14)5-9(10)15/h3-6,17H,1-2H3
InChIKeyOWABUYGBAOTXGG-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.48
Rot. Bonds2

About 4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one

4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one (PubChem CID 90144048) has the molecular formula C13H11BrF2N2O and a molecular weight of 329.14 g/mol. Its IUPAC name is 4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one
PubChem CID90144048
Molecular FormulaC13H11BrF2N2O
Molecular Weight329.14 g/mol
Exact Mass328.00
IUPAC Name4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one
SMILESCc1cn(C)c(=O)c(F)c1Nc1ccc(Br)cc1F
InChIInChI=1S/C13H11BrF2N2O/c1-7-6-18(2)13(19)11(16)12(7)17-10-4-3-8(14)5-9(10)15/h3-6,17H,1-2H3
InChIKeyOWABUYGBAOTXGG-UHFFFAOYSA-N
XLogP3.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxo-3-pyridinyl]-dioxidoazanium
CID 163661650
4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one
CID 122606005
4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11395411
4-(4-bromo-2-fluoroanilino)-5-fluoro-1-methyl-6-oxopyridine-3-carboxylic acid;N-[(2-methylpropan-2-yl)oxy]decan-1-amine
CID 161073694
5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one
CID 58259896
4-(4-bromo-2-fluoroanilino)-3-fluoro-5-[5-(2-hydroxyethylimino)oxadiazolidin-2-yl]-1-methylpyridin-2-one
CID 91504638
4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11690375
7-(4-bromo-2-fluoroanilino)-6-fluoro-8-(methylamino)-2,3-dihydro-1H-indolizin-5-one
CID 70843615
2-N-(4-bromo-2-fluorophenyl)-3-methylbenzene-1,2-diamine
CID 115549996
4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxylic acid
CID 11580925
N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
CID 71163488
4-(4-bromo-2-fluoroanilino)-5-fluoro-1-[(6-methyl-2-pyridinyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 159419068

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one?
The IUPAC name of 4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one (CID 90144048) is 4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one.
What is the SMILES notation for 4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one?
The canonical SMILES for 4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one is Cc1cn(C)c(=O)c(F)c1Nc1ccc(Br)cc1F.
What is the InChIKey of 4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one?
The InChIKey is OWABUYGBAOTXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O/c1-7-6-18(2)13(19)11(16)12(7)17-10-4-3-8(14)5-9(10)15/h3-6,17H,1-2H3.
What are the key properties of 4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one?
4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one has a molecular weight of 329.14 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one is sourced from PubChem (CID 90144048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).