3,5-dichloro-1-ethylpyridin-4-one

C7H7Cl2NO — CID 89207368

IUPAC3,5-dichloro-1-ethylpyridin-4-one
SMILESCCn1cc(Cl)c(=O)c(Cl)c1
InChIInChI=1S/C7H7Cl2NO/c1-2-10-3-5(8)7(11)6(9)4-10/h3-4H,2H2,1H3
InChIKeyTZNHOGQMTINTSC-UHFFFAOYSA-N
MW192.04 g/mol
LogP2.17
Rot. Bonds1

About 3,5-dichloro-1-ethylpyridin-4-one

3,5-dichloro-1-ethylpyridin-4-one (PubChem CID 89207368) has the molecular formula C7H7Cl2NO and a molecular weight of 192.04 g/mol. Its IUPAC name is 3,5-dichloro-1-ethylpyridin-4-one.

Molecular Properties

Compound Name3,5-dichloro-1-ethylpyridin-4-one
PubChem CID89207368
Molecular FormulaC7H7Cl2NO
Molecular Weight192.04 g/mol
Exact Mass190.99
IUPAC Name3,5-dichloro-1-ethylpyridin-4-one
SMILESCCn1cc(Cl)c(=O)c(Cl)c1
InChIInChI=1S/C7H7Cl2NO/c1-2-10-3-5(8)7(11)6(9)4-10/h3-4H,2H2,1H3
InChIKeyTZNHOGQMTINTSC-UHFFFAOYSA-N
XLogP2.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 52.17
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-ethylpyridin-4-one?
The IUPAC name of 3,5-dichloro-1-ethylpyridin-4-one (CID 89207368) is 3,5-dichloro-1-ethylpyridin-4-one.
What is the SMILES notation for 3,5-dichloro-1-ethylpyridin-4-one?
The canonical SMILES for 3,5-dichloro-1-ethylpyridin-4-one is CCn1cc(Cl)c(=O)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-1-ethylpyridin-4-one?
The InChIKey is TZNHOGQMTINTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c1-2-10-3-5(8)7(11)6(9)4-10/h3-4H,2H2,1H3.
What are the key properties of 3,5-dichloro-1-ethylpyridin-4-one?
3,5-dichloro-1-ethylpyridin-4-one has a molecular weight of 192.04 g/mol, XLogP of 2.17, 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-ethylpyridin-4-one is sourced from PubChem (CID 89207368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).