3,5-dichloro-2-ethyl-6-methyl-1H-pyridin-4-one

C8H9Cl2NO — CID 609392

IUPAC3,5-dichloro-2-ethyl-6-methyl-1H-pyridin-4-one
SMILESCCc1[nH]c(C)c(Cl)c(=O)c1Cl
InChIInChI=1S/C8H9Cl2NO/c1-3-5-7(10)8(12)6(9)4(2)11-5/h3H2,1-2H3,(H,11,12)
InChIKeyYYJOIXWZKTZUTF-UHFFFAOYSA-N
MW206.07 g/mol
LogP2.55
Rot. Bonds1

About 3,5-dichloro-2-ethyl-6-methyl-1H-pyridin-4-one

3,5-dichloro-2-ethyl-6-methyl-1H-pyridin-4-one (PubChem CID 609392) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 3,5-dichloro-2-ethyl-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dichloro-2-ethyl-6-methyl-1H-pyridin-4-one
PubChem CID609392
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name3,5-dichloro-2-ethyl-6-methyl-1H-pyridin-4-one
SMILESCCc1[nH]c(C)c(Cl)c(=O)c1Cl
InChIInChI=1S/C8H9Cl2NO/c1-3-5-7(10)8(12)6(9)4(2)11-5/h3H2,1-2H3,(H,11,12)
InChIKeyYYJOIXWZKTZUTF-UHFFFAOYSA-N
XLogP2.55
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 18087
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4-Pyridinol, 3-chloro-2,6-dimethyl-
CID 593917
3-Fluoro-5-chloro-2,6-dimethyl-4-pyridinol
CID 3016188
N-(2,4,5-trichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)propanamide
CID 323877
4-Pyridinol, 3-amino-5-chloro-2,6-dimethyl-
CID 599103
4-Pyridinol, 3,5-dichloro-2,6-diethyl-
CID 613051
CID 17579577
CID 17579577
2,5-Dichloro-3,6-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione
CID 21275007
3,5-dichloro-2,6-dipropyl-1H-pyridin-4-one
CID 54168668
2,5-Bis(tert-butylamino)-3,6-dichlorobenzo-1,4-quinone
CID 56695799
3-chloro-5-iodo-2,6-dimethyl-1H-pyridin-4-one
CID 57479255

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-ethyl-6-methyl-1H-pyridin-4-one?
The IUPAC name of 3,5-dichloro-2-ethyl-6-methyl-1H-pyridin-4-one (CID 609392) is 3,5-dichloro-2-ethyl-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dichloro-2-ethyl-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 3,5-dichloro-2-ethyl-6-methyl-1H-pyridin-4-one is CCc1[nH]c(C)c(Cl)c(=O)c1Cl.
What is the InChIKey of 3,5-dichloro-2-ethyl-6-methyl-1H-pyridin-4-one?
The InChIKey is YYJOIXWZKTZUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO/c1-3-5-7(10)8(12)6(9)4(2)11-5/h3H2,1-2H3,(H,11,12).
What are the key properties of 3,5-dichloro-2-ethyl-6-methyl-1H-pyridin-4-one?
3,5-dichloro-2-ethyl-6-methyl-1H-pyridin-4-one has a molecular weight of 206.07 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-ethyl-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 609392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).