5-bromo-4-methyl-1H-pyridin-2-one;hydrochloride

C6H7BrClNO — CID 86811600

IUPAC5-bromo-4-methyl-1H-pyridin-2-one;hydrochloride
SMILESCc1cc(=O)[nH]cc1Br.Cl
InChIInChI=1S/C6H6BrNO.ClH/c1-4-2-6(9)8-3-5(4)7;/h2-3H,1H3,(H,8,9);1H
InChIKeyYSGLJADJPSARKL-UHFFFAOYSA-N
MW224.49 g/mol
LogP1.87
Rot. Bonds

About 5-bromo-4-methyl-1H-pyridin-2-one;hydrochloride

5-bromo-4-methyl-1H-pyridin-2-one;hydrochloride (PubChem CID 86811600) has the molecular formula C6H7BrClNO and a molecular weight of 224.49 g/mol. Its IUPAC name is 5-bromo-4-methyl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-bromo-4-methyl-1H-pyridin-2-one;hydrochloride
PubChem CID86811600
Molecular FormulaC6H7BrClNO
Molecular Weight224.49 g/mol
Exact Mass222.94
IUPAC Name5-bromo-4-methyl-1H-pyridin-2-one;hydrochloride
SMILESCc1cc(=O)[nH]cc1Br.Cl
InChIInChI=1S/C6H6BrNO.ClH/c1-4-2-6(9)8-3-5(4)7;/h2-3H,1H3,(H,8,9);1H
InChIKeyYSGLJADJPSARKL-UHFFFAOYSA-N
XLogP1.87
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Hydroxy-4-methylpyridine
CID 280741
5-Bromo-2-hydroxy-4-methylpyridine
CID 819937
3-Bromo-2-hydroxy-5-methylpyridine
CID 3725261
5-Bromo-2-hydroxy-3-methylpyridine
CID 285436
3-Bromo-4-methylpyridin-2-ol
CID 13463813
5-Bromo-4-(trifluoromethyl)pyridin-2-ol
CID 19996518
5-Chloro-4-methylpyridin-2-ol
CID 46739797
5-Bromo-1,4-dimethyl-1,2-dihydropyridin-2-one
CID 67281826
4-Bromo-3,5-dimethyl-2(1H)-pyridinone
CID 67814263
5-Fluoro-2-hydroxy-4-methylpyridine
CID 68205788
5-bromo-3-fluoro-4-methyl-1H-pyridin-2-one
CID 118025211
5-Bromo-4-(difluoromethyl)pyridin-2-ol
CID 118989703

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 5-bromo-4-methyl-1H-pyridin-2-one;hydrochloride (CID 86811600) is 5-bromo-4-methyl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 5-bromo-4-methyl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 5-bromo-4-methyl-1H-pyridin-2-one;hydrochloride is Cc1cc(=O)[nH]cc1Br.Cl.
What is the InChIKey of 5-bromo-4-methyl-1H-pyridin-2-one;hydrochloride?
The InChIKey is YSGLJADJPSARKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO.ClH/c1-4-2-6(9)8-3-5(4)7;/h2-3H,1H3,(H,8,9);1H.
What are the key properties of 5-bromo-4-methyl-1H-pyridin-2-one;hydrochloride?
5-bromo-4-methyl-1H-pyridin-2-one;hydrochloride has a molecular weight of 224.49 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 86811600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).