5-bromo-3-methoxy-1,2-dimethylpyridin-4-one

C8H10BrNO2 — CID 12511612

IUPAC5-bromo-3-methoxy-1,2-dimethylpyridin-4-one
SMILESCOc1c(C)n(C)cc(Br)c1=O
InChIInChI=1S/C8H10BrNO2/c1-5-8(12-3)7(11)6(9)4-10(5)2/h4H,1-3H3
InChIKeyCMDSVZXFWDUFED-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.46
Rot. Bonds1

About 5-bromo-3-methoxy-1,2-dimethylpyridin-4-one

5-bromo-3-methoxy-1,2-dimethylpyridin-4-one (PubChem CID 12511612) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 5-bromo-3-methoxy-1,2-dimethylpyridin-4-one.

Molecular Properties

Compound Name5-bromo-3-methoxy-1,2-dimethylpyridin-4-one
PubChem CID12511612
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name5-bromo-3-methoxy-1,2-dimethylpyridin-4-one
SMILESCOc1c(C)n(C)cc(Br)c1=O
InChIInChI=1S/C8H10BrNO2/c1-5-8(12-3)7(11)6(9)4-10(5)2/h4H,1-3H3
InChIKeyCMDSVZXFWDUFED-UHFFFAOYSA-N
XLogP1.46
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-3-methoxy-2-methyl-1,4-dihydropyridin-4-one
CID 12511611
3-Methoxy-1,2-dimethyl-pyridin-4-one
CID 13011399
5-Fluoro-3-methoxy-1,2-dimethyl-4(1H)-pyridinone
CID 89163946
5-bromo-3-butoxy-2-methyl-1H-pyridin-4-one
CID 66596575
3-(Deuteriomethoxy)-1,2-dimethylpyridin-4-one
CID 118488333
3-Bromo-5-methoxy-1-methylpyridin-4-one
CID 84048269
3-Bromo-5-methoxy-1-propan-2-ylpyridin-4-one
CID 84048273

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methoxy-1,2-dimethylpyridin-4-one?
The IUPAC name of 5-bromo-3-methoxy-1,2-dimethylpyridin-4-one (CID 12511612) is 5-bromo-3-methoxy-1,2-dimethylpyridin-4-one.
What is the SMILES notation for 5-bromo-3-methoxy-1,2-dimethylpyridin-4-one?
The canonical SMILES for 5-bromo-3-methoxy-1,2-dimethylpyridin-4-one is COc1c(C)n(C)cc(Br)c1=O.
What is the InChIKey of 5-bromo-3-methoxy-1,2-dimethylpyridin-4-one?
The InChIKey is CMDSVZXFWDUFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-5-8(12-3)7(11)6(9)4-10(5)2/h4H,1-3H3.
What are the key properties of 5-bromo-3-methoxy-1,2-dimethylpyridin-4-one?
5-bromo-3-methoxy-1,2-dimethylpyridin-4-one has a molecular weight of 232.08 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methoxy-1,2-dimethylpyridin-4-one is sourced from PubChem (CID 12511612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).