2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate

C21H14BrF3NO5- — CID 22050914

IUPAC2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate
SMILESCc1cc(OCc2ccc(F)cc2OCC(=O)[O-])c(Br)c(=O)n1-c1c(F)cccc1F
InChIInChI=1S/C21H15BrF3NO5/c1-11-7-17(19(22)21(29)26(11)20-14(24)3-2-4-15(20)25)30-9-12-5-6-13(23)8-16(12)31-10-18(27)28/h2-8H,9-10H2,1H3,(H,27,28)/p-1
InChIKeyNFSISMFLSOQCTG-UHFFFAOYSA-M
MW497.24 g/mol
LogP3.03
Rot. Bonds7

About 2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate

2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate (PubChem CID 22050914) has the molecular formula C21H14BrF3NO5- and a molecular weight of 497.24 g/mol. Its IUPAC name is 2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate.

Molecular Properties

Compound Name2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate
PubChem CID22050914
Molecular FormulaC21H14BrF3NO5-
Molecular Weight497.24 g/mol
Exact Mass496.00
IUPAC Name2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate
SMILESCc1cc(OCc2ccc(F)cc2OCC(=O)[O-])c(Br)c(=O)n1-c1c(F)cccc1F
InChIInChI=1S/C21H15BrF3NO5/c1-11-7-17(19(22)21(29)26(11)20-14(24)3-2-4-15(20)25)30-9-12-5-6-13(23)8-16(12)31-10-18(27)28/h2-8H,9-10H2,1H3,(H,27,28)/p-1
InChIKeyNFSISMFLSOQCTG-UHFFFAOYSA-M
XLogP3.03
TPSA80.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.24
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate with MolForge

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Launch Full Analysis

Related Compounds

3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one
CID 10238447
3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one
CID 22051017
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one
CID 141203406
3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 141203432
2-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoic acid
CID 142776167
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one
CID 69025877
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide
CID 22050313
2-(bromomethyl)-5-fluorobenzonitrile;2-[[3-chloro-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorobenzonitrile
CID 22050016
1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride
CID 22050202
3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]benzamide
CID 11431185
methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-chlorobenzoate
CID 22050601
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)-N,2-dimethylbenzamide
CID 22050826

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate?
The IUPAC name of 2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate (CID 22050914) is 2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate.
What is the SMILES notation for 2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate?
The canonical SMILES for 2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate is Cc1cc(OCc2ccc(F)cc2OCC(=O)[O-])c(Br)c(=O)n1-c1c(F)cccc1F.
What is the InChIKey of 2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate?
The InChIKey is NFSISMFLSOQCTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H15BrF3NO5/c1-11-7-17(19(22)21(29)26(11)20-14(24)3-2-4-15(20)25)30-9-12-5-6-13(23)8-16(12)31-10-18(27)28/h2-8H,9-10H2,1H3,(H,27,28)/p-1.
What are the key properties of 2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate?
2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate has a molecular weight of 497.24 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate is sourced from PubChem (CID 22050914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).