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

C7H8BrNO — CID 67281826

IUPAC5-bromo-1,4-dimethylpyridin-2-one
SMILESCc1cc(=O)n(C)cc1Br
InChIInChI=1S/C7H8BrNO/c1-5-3-7(10)9(2)4-6(5)8/h3-4H,1-2H3
InChIKeyVEFBADZSNWPVHQ-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.46
Rot. Bonds

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

5-bromo-1,4-dimethylpyridin-2-one (PubChem CID 67281826) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 5-bromo-1,4-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-1,4-dimethylpyridin-2-one
PubChem CID67281826
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name5-bromo-1,4-dimethylpyridin-2-one
SMILESCc1cc(=O)n(C)cc1Br
InChIInChI=1S/C7H8BrNO/c1-5-3-7(10)9(2)4-6(5)8/h3-4H,1-2H3
InChIKeyVEFBADZSNWPVHQ-UHFFFAOYSA-N
XLogP1.46
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,4-dimethylpyridin-2-one?
The IUPAC name of 5-bromo-1,4-dimethylpyridin-2-one (CID 67281826) is 5-bromo-1,4-dimethylpyridin-2-one.
What is the SMILES notation for 5-bromo-1,4-dimethylpyridin-2-one?
The canonical SMILES for 5-bromo-1,4-dimethylpyridin-2-one is Cc1cc(=O)n(C)cc1Br.
What is the InChIKey of 5-bromo-1,4-dimethylpyridin-2-one?
The InChIKey is VEFBADZSNWPVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-5-3-7(10)9(2)4-6(5)8/h3-4H,1-2H3.
What are the key properties of 5-bromo-1,4-dimethylpyridin-2-one?
5-bromo-1,4-dimethylpyridin-2-one has a molecular weight of 202.05 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,4-dimethylpyridin-2-one is sourced from PubChem (CID 67281826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).