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

C7H8BrNO — CID 59544344

IUPAC5-bromo-3,6-dimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C)cc1Br
InChIInChI=1S/C7H8BrNO/c1-4-3-6(8)5(2)9-7(4)10/h3H,1-2H3,(H,9,10)
InChIKeyDMFCCKOZBSJHQJ-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.75
Rot. Bonds

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

5-bromo-3,6-dimethyl-1H-pyridin-2-one (PubChem CID 59544344) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 5-bromo-3,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3,6-dimethyl-1H-pyridin-2-one
PubChem CID59544344
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name5-bromo-3,6-dimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C)cc1Br
InChIInChI=1S/C7H8BrNO/c1-4-3-6(8)5(2)9-7(4)10/h3H,1-2H3,(H,9,10)
InChIKeyDMFCCKOZBSJHQJ-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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Related Compounds

3-Bromo-6-methyl-pyridin-2-ol
CID 2734419
3-Bromo-6-hydroxy-2-methylpyridine
CID 2734417
2(1H)-Pyridinone, 3,6-dimethyl-
CID 579340
3-Bromo-5,6-dimethyl-2(1H)-pyridinone
CID 50944339
5-bromo-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one
CID 68505612
5-Bromo-4,6-dimethylpyridin-2(1H)-one
CID 13463816
5-bromo-6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 105511258
4-Bromo-6-(difluoromethyl)-3-methylpyridin-2-ol
CID 118834378
4-Bromo-3-(difluoromethyl)-6-methylpyridin-2-ol
CID 118851457
2-(Bromomethyl)-5-(difluoromethyl)-3-fluoro-6-hydroxypyridine
CID 118855188
5-bromo-3-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 130110109
5-bromo-6-(bromomethyl)-3-(difluoromethyl)-1H-pyridin-2-one
CID 130110205

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3,6-dimethyl-1H-pyridin-2-one (CID 59544344) is 5-bromo-3,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3,6-dimethyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(C)cc1Br.
What is the InChIKey of 5-bromo-3,6-dimethyl-1H-pyridin-2-one?
The InChIKey is DMFCCKOZBSJHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-4-3-6(8)5(2)9-7(4)10/h3H,1-2H3,(H,9,10).
What are the key properties of 5-bromo-3,6-dimethyl-1H-pyridin-2-one?
5-bromo-3,6-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 5-bromo-3,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 59544344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).