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

C13H10BrF2NO2 — CID 22050429

IUPAC3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)[nH]1
InChIInChI=1S/C13H10BrF2NO2/c1-7-4-11(12(14)13(18)17-7)19-6-8-2-3-9(15)5-10(8)16/h2-5H,6H2,1H3,(H,17,18)
InChIKeyKWMLVJCBRJIQNB-UHFFFAOYSA-N
MW330.13 g/mol
LogP3.30
Rot. Bonds3

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

3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one (PubChem CID 22050429) has the molecular formula C13H10BrF2NO2 and a molecular weight of 330.13 g/mol. Its IUPAC name is 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one
PubChem CID22050429
Molecular FormulaC13H10BrF2NO2
Molecular Weight330.13 g/mol
Exact Mass328.99
IUPAC Name3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)[nH]1
InChIInChI=1S/C13H10BrF2NO2/c1-7-4-11(12(14)13(18)17-7)19-6-8-2-3-9(15)5-10(8)16/h2-5H,6H2,1H3,(H,17,18)
InChIKeyKWMLVJCBRJIQNB-UHFFFAOYSA-N
XLogP3.30
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Fluorobenzyloxy)-1h-pyridin-2-one
CID 22049900
Methyl (2E)-4-[3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl]but-2-enoate
CID 21035375
1-allyl-3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one
CID 22049959
(2e)-4-[3-Bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2h)-yl]but-2-enoic acid
CID 22049971
3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-1-prop-2-ynylpyridin-2(1H)-one
CID 22050081
4-(2,4-difluorobenzyloxy)-1H-pyridin-2-one
CID 22050390
(E)-4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-methylbut-2-enamide
CID 22050448
Methyl 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridine-1-carboxylate
CID 22050502
3-bromo-4-(4-fluorobenzyloxy)-1H-pyridin-2-one
CID 22050579
3-bromo-4-(2,4-difluorobenzyloxy)-1H-pyridin-2-one
CID 22050832
1-allyl-4-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one
CID 22051008
3-Chloro-4-(2,4-difluorobenzyloxy)-6-methyl-1H-pyridin-2-one
CID 22051050

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one (CID 22050429) is 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)[nH]1.
What is the InChIKey of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one?
The InChIKey is KWMLVJCBRJIQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2/c1-7-4-11(12(14)13(18)17-7)19-6-8-2-3-9(15)5-10(8)16/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one?
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one has a molecular weight of 330.13 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 22050429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).