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

C7H8BrNO — CID 13463814

IUPAC3-bromo-1,4-dimethylpyridin-2-one
SMILESCc1ccn(C)c(=O)c1Br
InChIInChI=1S/C7H8BrNO/c1-5-3-4-9(2)7(10)6(5)8/h3-4H,1-2H3
InChIKeyPLDLJGMZMWYOFE-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.46
Rot. Bonds

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

3-bromo-1,4-dimethylpyridin-2-one (PubChem CID 13463814) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 3-bromo-1,4-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-1,4-dimethylpyridin-2-one
PubChem CID13463814
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name3-bromo-1,4-dimethylpyridin-2-one
SMILESCc1ccn(C)c(=O)c1Br
InChIInChI=1S/C7H8BrNO/c1-5-3-4-9(2)7(10)6(5)8/h3-4H,1-2H3
InChIKeyPLDLJGMZMWYOFE-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 3-bromo-1,4-dimethylpyridin-2-one?
The IUPAC name of 3-bromo-1,4-dimethylpyridin-2-one (CID 13463814) is 3-bromo-1,4-dimethylpyridin-2-one.
What is the SMILES notation for 3-bromo-1,4-dimethylpyridin-2-one?
The canonical SMILES for 3-bromo-1,4-dimethylpyridin-2-one is Cc1ccn(C)c(=O)c1Br.
What is the InChIKey of 3-bromo-1,4-dimethylpyridin-2-one?
The InChIKey is PLDLJGMZMWYOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-5-3-4-9(2)7(10)6(5)8/h3-4H,1-2H3.
What are the key properties of 3-bromo-1,4-dimethylpyridin-2-one?
3-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 3-bromo-1,4-dimethylpyridin-2-one is sourced from PubChem (CID 13463814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).