3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one

C19H15BrF2N2O2 — CID 141203406

IUPAC3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one
SMILESCc1cccc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)n1
InChIInChI=1S/C19H15BrF2N2O2/c1-11-4-3-5-17(23-11)24-12(2)8-16(18(20)19(24)25)26-10-13-6-7-14(21)9-15(13)22/h3-9H,10H2,1-2H3
InChIKeyAFHPWCRJTPHVGC-UHFFFAOYSA-N
MW421.24 g/mol
LogP4.47
Rot. Bonds4

About 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one

3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one (PubChem CID 141203406) has the molecular formula C19H15BrF2N2O2 and a molecular weight of 421.24 g/mol. Its IUPAC name is 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one
PubChem CID141203406
Molecular FormulaC19H15BrF2N2O2
Molecular Weight421.24 g/mol
Exact Mass420.03
IUPAC Name3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one
SMILESCc1cccc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)n1
InChIInChI=1S/C19H15BrF2N2O2/c1-11-4-3-5-17(23-11)24-12(2)8-16(18(20)19(24)25)26-10-13-6-7-14(21)9-15(13)22/h3-9H,10H2,1-2H3
InChIKeyAFHPWCRJTPHVGC-UHFFFAOYSA-N
XLogP4.47
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.24
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one with MolForge

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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-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 141203432
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-(pyridin-4-ylmethyl)pyridin-2-one
CID 10194628
1-[(3-aminophenyl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22050290
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide
CID 22050313
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[3-(morpholine-4-carbonyl)phenyl]pyridin-2-one
CID 69025877
2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate
CID 22050914
methyl 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-chlorobenzoate
CID 22050601
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203443

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one?
The IUPAC name of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one (CID 141203406) is 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one?
The canonical SMILES for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one is Cc1cccc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)n1.
What is the InChIKey of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one?
The InChIKey is AFHPWCRJTPHVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF2N2O2/c1-11-4-3-5-17(23-11)24-12(2)8-16(18(20)19(24)25)26-10-13-6-7-14(21)9-15(13)22/h3-9H,10H2,1-2H3.
What are the key properties of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one?
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one has a molecular weight of 421.24 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one is sourced from PubChem (CID 141203406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).