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

C18H13BrF2N2O2 — CID 46882405

IUPAC3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-pyridin-3-ylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccnc1
InChIInChI=1S/C18H13BrF2N2O2/c1-11-7-16(25-10-12-4-5-13(20)8-15(12)21)17(19)18(24)23(11)14-3-2-6-22-9-14/h2-9H,10H2,1H3
InChIKeyFLABRECGXSQDDB-UHFFFAOYSA-N
MW407.21 g/mol
LogP4.16
Rot. Bonds4

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

3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-pyridin-3-ylpyridin-2-one (PubChem CID 46882405) has the molecular formula C18H13BrF2N2O2 and a molecular weight of 407.21 g/mol. Its IUPAC name is 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-pyridin-3-ylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-pyridin-3-ylpyridin-2-one
PubChem CID46882405
Molecular FormulaC18H13BrF2N2O2
Molecular Weight407.21 g/mol
Exact Mass406.01
IUPAC Name3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-pyridin-3-ylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccnc1
InChIInChI=1S/C18H13BrF2N2O2/c1-11-7-16(25-10-12-4-5-13(20)8-15(12)21)17(19)18(24)23(11)14-3-2-6-22-9-14/h2-9H,10H2,1H3
InChIKeyFLABRECGXSQDDB-UHFFFAOYSA-N
XLogP4.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.21
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-pyridin-3-ylpyridin-2-one?
The IUPAC name of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-pyridin-3-ylpyridin-2-one (CID 46882405) is 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-pyridin-3-ylpyridin-2-one.
What is the SMILES notation for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-pyridin-3-ylpyridin-2-one?
The canonical SMILES for 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-pyridin-3-ylpyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cccnc1.
What is the InChIKey of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-pyridin-3-ylpyridin-2-one?
The InChIKey is FLABRECGXSQDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrF2N2O2/c1-11-7-16(25-10-12-4-5-13(20)8-15(12)21)17(19)18(24)23(11)14-3-2-6-22-9-14/h2-9H,10H2,1H3.
What are the key properties of 3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-pyridin-3-ylpyridin-2-one?
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-pyridin-3-ylpyridin-2-one has a molecular weight of 407.21 g/mol, XLogP of 4.16, 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-pyridin-3-ylpyridin-2-one is sourced from PubChem (CID 46882405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).