4-bromo-5-chloro-1-methylpyridin-2-one

C6H5BrClNO — CID 105479911

IUPAC4-bromo-5-chloro-1-methylpyridin-2-one
SMILESCn1cc(Cl)c(Br)cc1=O
InChIInChI=1S/C6H5BrClNO/c1-9-3-5(8)4(7)2-6(9)10/h2-3H,1H3
InChIKeyLKJVYPVTXUOJAV-UHFFFAOYSA-N
MW222.47 g/mol
LogP1.80
Rot. Bonds

About 4-bromo-5-chloro-1-methylpyridin-2-one

4-bromo-5-chloro-1-methylpyridin-2-one (PubChem CID 105479911) has the molecular formula C6H5BrClNO and a molecular weight of 222.47 g/mol. Its IUPAC name is 4-bromo-5-chloro-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-bromo-5-chloro-1-methylpyridin-2-one
PubChem CID105479911
Molecular FormulaC6H5BrClNO
Molecular Weight222.47 g/mol
Exact Mass220.92
IUPAC Name4-bromo-5-chloro-1-methylpyridin-2-one
SMILESCn1cc(Cl)c(Br)cc1=O
InChIInChI=1S/C6H5BrClNO/c1-9-3-5(8)4(7)2-6(9)10/h2-3H,1H3
InChIKeyLKJVYPVTXUOJAV-UHFFFAOYSA-N
XLogP1.80
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.47
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(4-bromo-1-methyl-6-oxo-3-pyridinyl)ethynyl thiohypoiodite
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5-bromo-1-methylpyridin-2-one
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N-[1-(5-bromo-1-methyl-2-oxo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 122588655
3,5-dichloro-1-methylpyridin-2-one
CID 18793483
(5-bromo-1-methyl-2-oxo-4-pyridinyl)methylcarbamic acid
CID 142346603
4-bromo-5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methylpyridin-2-one
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4-bromo-7-chloro-2-methylisoquinolin-1-one
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4-hydroxy-1-methyl-6-oxopyridine-3-carbonyl chloride
CID 71438926

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-1-methylpyridin-2-one?
The IUPAC name of 4-bromo-5-chloro-1-methylpyridin-2-one (CID 105479911) is 4-bromo-5-chloro-1-methylpyridin-2-one.
What is the SMILES notation for 4-bromo-5-chloro-1-methylpyridin-2-one?
The canonical SMILES for 4-bromo-5-chloro-1-methylpyridin-2-one is Cn1cc(Cl)c(Br)cc1=O.
What is the InChIKey of 4-bromo-5-chloro-1-methylpyridin-2-one?
The InChIKey is LKJVYPVTXUOJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClNO/c1-9-3-5(8)4(7)2-6(9)10/h2-3H,1H3.
What are the key properties of 4-bromo-5-chloro-1-methylpyridin-2-one?
4-bromo-5-chloro-1-methylpyridin-2-one has a molecular weight of 222.47 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-1-methylpyridin-2-one is sourced from PubChem (CID 105479911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).