3,5-dichloro-1-ethenyl-6-methylpyridin-2-one

C8H7Cl2NO — CID 59405825

IUPAC3,5-dichloro-1-ethenyl-6-methylpyridin-2-one
SMILESC=Cn1c(C)c(Cl)cc(Cl)c1=O
InChIInChI=1S/C8H7Cl2NO/c1-3-11-5(2)6(9)4-7(10)8(11)12/h3-4H,1H2,2H3
InChIKeyDGFHIFWLBBJJNW-UHFFFAOYSA-N
MW204.06 g/mol
LogP2.56
Rot. Bonds1

About 3,5-dichloro-1-ethenyl-6-methylpyridin-2-one

3,5-dichloro-1-ethenyl-6-methylpyridin-2-one (PubChem CID 59405825) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is 3,5-dichloro-1-ethenyl-6-methylpyridin-2-one.

Molecular Properties

Compound Name3,5-dichloro-1-ethenyl-6-methylpyridin-2-one
PubChem CID59405825
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name3,5-dichloro-1-ethenyl-6-methylpyridin-2-one
SMILESC=Cn1c(C)c(Cl)cc(Cl)c1=O
InChIInChI=1S/C8H7Cl2NO/c1-3-11-5(2)6(9)4-7(10)8(11)12/h3-4H,1H2,2H3
InChIKeyDGFHIFWLBBJJNW-UHFFFAOYSA-N
XLogP2.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-ethenyl-6-methylpyridin-2-one?
The IUPAC name of 3,5-dichloro-1-ethenyl-6-methylpyridin-2-one (CID 59405825) is 3,5-dichloro-1-ethenyl-6-methylpyridin-2-one.
What is the SMILES notation for 3,5-dichloro-1-ethenyl-6-methylpyridin-2-one?
The canonical SMILES for 3,5-dichloro-1-ethenyl-6-methylpyridin-2-one is C=Cn1c(C)c(Cl)cc(Cl)c1=O.
What is the InChIKey of 3,5-dichloro-1-ethenyl-6-methylpyridin-2-one?
The InChIKey is DGFHIFWLBBJJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c1-3-11-5(2)6(9)4-7(10)8(11)12/h3-4H,1H2,2H3.
What are the key properties of 3,5-dichloro-1-ethenyl-6-methylpyridin-2-one?
3,5-dichloro-1-ethenyl-6-methylpyridin-2-one has a molecular weight of 204.06 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-ethenyl-6-methylpyridin-2-one is sourced from PubChem (CID 59405825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).