3-bromo-5,6-dimethyl-1H-pyridin-2-one

C7H8BrNO — CID 50944339

IUPAC3-bromo-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(Br)c(=O)[nH]c1C
InChIInChI=1S/C7H8BrNO/c1-4-3-6(8)7(10)9-5(4)2/h3H,1-2H3,(H,9,10)
InChIKeySTAHIKKWPLWAEU-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.75
Rot. Bonds

About 3-bromo-5,6-dimethyl-1H-pyridin-2-one

3-bromo-5,6-dimethyl-1H-pyridin-2-one (PubChem CID 50944339) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 3-bromo-5,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5,6-dimethyl-1H-pyridin-2-one
PubChem CID50944339
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name3-bromo-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(Br)c(=O)[nH]c1C
InChIInChI=1S/C7H8BrNO/c1-4-3-6(8)7(10)9-5(4)2/h3H,1-2H3,(H,9,10)
InChIKeySTAHIKKWPLWAEU-UHFFFAOYSA-N
XLogP1.75
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-bromo-5,6-dimethyl-1H-pyridin-2-one (CID 50944339) is 3-bromo-5,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-5,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-5,6-dimethyl-1H-pyridin-2-one is Cc1cc(Br)c(=O)[nH]c1C.
What is the InChIKey of 3-bromo-5,6-dimethyl-1H-pyridin-2-one?
The InChIKey is STAHIKKWPLWAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-4-3-6(8)7(10)9-5(4)2/h3H,1-2H3,(H,9,10).
What are the key properties of 3-bromo-5,6-dimethyl-1H-pyridin-2-one?
3-bromo-5,6-dimethyl-1H-pyridin-2-one has a molecular weight of 202.05 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 50944339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).