3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylpyridin-2-one

C18H14BrF2N3O3 — CID 46882408

IUPAC3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cnc(CO)cn1
InChIInChI=1S/C18H14BrF2N3O3/c1-10-4-15(27-9-11-2-3-12(20)5-14(11)21)17(19)18(26)24(10)16-7-22-13(8-25)6-23-16/h2-7,25H,8-9H2,1H3
InChIKeyLQOLVCAWVIQPRR-UHFFFAOYSA-N
MW438.23 g/mol
LogP3.05
Rot. Bonds5

About 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylpyridin-2-one

3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylpyridin-2-one (PubChem CID 46882408) has the molecular formula C18H14BrF2N3O3 and a molecular weight of 438.23 g/mol. Its IUPAC name is 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylpyridin-2-one
PubChem CID46882408
Molecular FormulaC18H14BrF2N3O3
Molecular Weight438.23 g/mol
Exact Mass437.02
IUPAC Name3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cnc(CO)cn1
InChIInChI=1S/C18H14BrF2N3O3/c1-10-4-15(27-9-11-2-3-12(20)5-14(11)21)17(19)18(26)24(10)16-7-22-13(8-25)6-23-16/h2-7,25H,8-9H2,1H3
InChIKeyLQOLVCAWVIQPRR-UHFFFAOYSA-N
XLogP3.05
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylpyridin-2-one?
The IUPAC name of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylpyridin-2-one (CID 46882408) is 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylpyridin-2-one.
What is the SMILES notation for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylpyridin-2-one?
The canonical SMILES for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylpyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cnc(CO)cn1.
What is the InChIKey of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylpyridin-2-one?
The InChIKey is LQOLVCAWVIQPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF2N3O3/c1-10-4-15(27-9-11-2-3-12(20)5-14(11)21)17(19)18(26)24(10)16-7-22-13(8-25)6-23-16/h2-7,25H,8-9H2,1H3.
What are the key properties of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylpyridin-2-one?
3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylpyridin-2-one has a molecular weight of 438.23 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylpyridin-2-one is sourced from PubChem (CID 46882408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).