3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

C19H13BrClF2NO2 — CID 141203432

IUPAC3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C19H13BrClF2NO2/c1-11-8-17(26-10-12-6-7-13(22)9-15(12)23)18(20)19(25)24(11)16-5-3-2-4-14(16)21/h2-9H,10H2,1H3
InChIKeyJKDSBVTVRMWRTB-UHFFFAOYSA-N
MW440.67 g/mol
LogP5.42
Rot. Bonds4

About 3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one

3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (PubChem CID 141203432) has the molecular formula C19H13BrClF2NO2 and a molecular weight of 440.67 g/mol. Its IUPAC name is 3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
PubChem CID141203432
Molecular FormulaC19H13BrClF2NO2
Molecular Weight440.67 g/mol
Exact Mass438.98
IUPAC Name3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C19H13BrClF2NO2/c1-11-8-17(26-10-12-6-7-13(22)9-15(12)23)18(20)19(25)24(11)16-5-3-2-4-14(16)21/h2-9H,10H2,1H3
InChIKeyJKDSBVTVRMWRTB-UHFFFAOYSA-N
XLogP5.42
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.67
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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]-4-chloro-N-methylbenzamide
CID 56662990
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2-methylphenyl)pyridin-2-one
CID 141203440
1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride
CID 22050202
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-(6-methyl-2-pyridinyl)pyridin-2-one
CID 141203406
3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one
CID 10238447
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203443
3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one
CID 22051017
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide
CID 22050313
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)-N,2-dimethylbenzamide
CID 22050826
2-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(methylcarbamoyl)benzoic acid
CID 22050889

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The IUPAC name of 3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one (CID 141203432) is 3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one.
What is the SMILES notation for 3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The canonical SMILES for 3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccccc1Cl.
What is the InChIKey of 3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
The InChIKey is JKDSBVTVRMWRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClF2NO2/c1-11-8-17(26-10-12-6-7-13(22)9-15(12)23)18(20)19(25)24(11)16-5-3-2-4-14(16)21/h2-9H,10H2,1H3.
What are the key properties of 3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one?
3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one has a molecular weight of 440.67 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 141203432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).