5-bromo-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyridin-2-one

C13H13BrN2O — CID 102878298

IUPAC5-bromo-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyridin-2-one
SMILESCc1cncc(Cn2cc(Br)cc(C)c2=O)c1
InChIInChI=1S/C13H13BrN2O/c1-9-3-11(6-15-5-9)7-16-8-12(14)4-10(2)13(16)17/h3-6,8H,7H2,1-2H3
InChIKeyLHLSXJJKJOYSPB-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.67
Rot. Bonds2

About 5-bromo-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyridin-2-one

5-bromo-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyridin-2-one (PubChem CID 102878298) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-bromo-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyridin-2-one
PubChem CID102878298
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name5-bromo-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyridin-2-one
SMILESCc1cncc(Cn2cc(Br)cc(C)c2=O)c1
InChIInChI=1S/C13H13BrN2O/c1-9-3-11(6-15-5-9)7-16-8-12(14)4-10(2)13(16)17/h3-6,8H,7H2,1-2H3
InChIKeyLHLSXJJKJOYSPB-UHFFFAOYSA-N
XLogP2.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 83131010
5-bromo-1-[(5-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid
CID 102881679
5-bromo-3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-one
CID 81422735
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoic acid
CID 106698935
5-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 83133727
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809227
5-bromo-1-(4-bromobutyl)-3-methylpyridin-2-one
CID 83130815
5-bromo-3-methyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyridin-2-one
CID 83133392
1-[(2-amino-5-chlorophenyl)methyl]-5-bromo-3-methylpyridin-2-one
CID 83130910
1-[(2-amino-4-chlorophenyl)methyl]-5-bromo-3-methylpyridin-2-one
CID 83130605
5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
CID 83132882
1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one
CID 131021073

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyridin-2-one (CID 102878298) is 5-bromo-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyridin-2-one is Cc1cncc(Cn2cc(Br)cc(C)c2=O)c1.
What is the InChIKey of 5-bromo-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyridin-2-one?
The InChIKey is LHLSXJJKJOYSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-9-3-11(6-15-5-9)7-16-8-12(14)4-10(2)13(16)17/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-bromo-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyridin-2-one?
5-bromo-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyridin-2-one has a molecular weight of 293.16 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]pyridin-2-one is sourced from PubChem (CID 102878298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).