3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(5-methylpyrazin-2-yl)pyridin-2-one

C18H14BrF2N3O2 — CID 46882407

IUPAC3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(5-methylpyrazin-2-yl)pyridin-2-one
SMILESCc1cnc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cn1
InChIInChI=1S/C18H14BrF2N3O2/c1-10-7-23-16(8-22-10)24-11(2)5-15(17(19)18(24)25)26-9-12-3-4-13(20)6-14(12)21/h3-8H,9H2,1-2H3
InChIKeyUWWQNYRFLKCMOR-UHFFFAOYSA-N
MW422.23 g/mol
LogP3.86
Rot. Bonds4

About 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(5-methylpyrazin-2-yl)pyridin-2-one

3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(5-methylpyrazin-2-yl)pyridin-2-one (PubChem CID 46882407) has the molecular formula C18H14BrF2N3O2 and a molecular weight of 422.23 g/mol. Its IUPAC name is 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(5-methylpyrazin-2-yl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(5-methylpyrazin-2-yl)pyridin-2-one
PubChem CID46882407
Molecular FormulaC18H14BrF2N3O2
Molecular Weight422.23 g/mol
Exact Mass421.02
IUPAC Name3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(5-methylpyrazin-2-yl)pyridin-2-one
SMILESCc1cnc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cn1
InChIInChI=1S/C18H14BrF2N3O2/c1-10-7-23-16(8-22-10)24-11(2)5-15(17(19)18(24)25)26-9-12-3-4-13(20)6-14(12)21/h3-8H,9H2,1-2H3
InChIKeyUWWQNYRFLKCMOR-UHFFFAOYSA-N
XLogP3.86
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.23
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(5-methylpyrazin-2-yl)pyridin-2-one?
The IUPAC name of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(5-methylpyrazin-2-yl)pyridin-2-one (CID 46882407) is 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(5-methylpyrazin-2-yl)pyridin-2-one.
What is the SMILES notation for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(5-methylpyrazin-2-yl)pyridin-2-one?
The canonical SMILES for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(5-methylpyrazin-2-yl)pyridin-2-one is Cc1cnc(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cn1.
What is the InChIKey of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(5-methylpyrazin-2-yl)pyridin-2-one?
The InChIKey is UWWQNYRFLKCMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF2N3O2/c1-10-7-23-16(8-22-10)24-11(2)5-15(17(19)18(24)25)26-9-12-3-4-13(20)6-14(12)21/h3-8H,9H2,1-2H3.
What are the key properties of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(5-methylpyrazin-2-yl)pyridin-2-one?
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(5-methylpyrazin-2-yl)pyridin-2-one has a molecular weight of 422.23 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(5-methylpyrazin-2-yl)pyridin-2-one is sourced from PubChem (CID 46882407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).