5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one

C8H8ClNO2 — CID 15098869

IUPAC5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one
SMILESCC(=O)c1cc(Cl)c(=O)[nH]c1C
InChIInChI=1S/C8H8ClNO2/c1-4-6(5(2)11)3-7(9)8(12)10-4/h3H,1-2H3,(H,10,12)
InChIKeyQLYZDONRCQRJNB-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.54
Rot. Bonds1

About 5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one

5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one (PubChem CID 15098869) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one
PubChem CID15098869
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one
SMILESCC(=O)c1cc(Cl)c(=O)[nH]c1C
InChIInChI=1S/C8H8ClNO2/c1-4-6(5(2)11)3-7(9)8(12)10-4/h3H,1-2H3,(H,10,12)
InChIKeyQLYZDONRCQRJNB-UHFFFAOYSA-N
XLogP1.54
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-acetyl-6-methyl-2(1H)-pyridinone
CID 4421736
Streptokordin
CID 11579160
5-Acetyl-3-iodo-6-methyl-1,2-dihydropyridin-2-one
CID 71300224
6-Ethyl-5-propanoylpyridin-2(1H)-one
CID 13236508
5-acetyl-4,6-dimethyl-1H-pyridin-2-one
CID 304683
3-Chloro-5,6-dimethyl-2-pyridone
CID 129790034
N-(5-chloro-4-oxocyclohexa-1,5-dien-1-yl)acetamide
CID 166174491
2(1H)-Pyridinone, 5-acetyl-6-ethyl-
CID 10241134
6-methyl-5-(n-propanoyl)-2(1H)-pyridinone
CID 13232041
5-Butanoyl-6-methylpyridin-2(1H)-one
CID 13232042
5-acetyl-3,6-dimethyl-1H-pyridin-2-one
CID 19762907
5-acetyl-3-amino-6-methyl-1H-pyridin-2-one;hydrochloride
CID 19762914

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one (CID 15098869) is 5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one is CC(=O)c1cc(Cl)c(=O)[nH]c1C.
What is the InChIKey of 5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one?
The InChIKey is QLYZDONRCQRJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-4-6(5(2)11)3-7(9)8(12)10-4/h3H,1-2H3,(H,10,12).
What are the key properties of 5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one?
5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one has a molecular weight of 185.61 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 15098869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).