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

C9H11Cl2NO — CID 613051

IUPAC3,5-dichloro-2,6-diethyl-1H-pyridin-4-one
SMILESCCc1[nH]c(CC)c(Cl)c(=O)c1Cl
InChIInChI=1S/C9H11Cl2NO/c1-3-5-7(10)9(13)8(11)6(4-2)12-5/h3-4H2,1-2H3,(H,12,13)
InChIKeyBAURIWHBBAFDNH-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.81
Rot. Bonds2

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

3,5-dichloro-2,6-diethyl-1H-pyridin-4-one (PubChem CID 613051) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 3,5-dichloro-2,6-diethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dichloro-2,6-diethyl-1H-pyridin-4-one
PubChem CID613051
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name3,5-dichloro-2,6-diethyl-1H-pyridin-4-one
SMILESCCc1[nH]c(CC)c(Cl)c(=O)c1Cl
InChIInChI=1S/C9H11Cl2NO/c1-3-5-7(10)9(13)8(11)6(4-2)12-5/h3-4H2,1-2H3,(H,12,13)
InChIKeyBAURIWHBBAFDNH-UHFFFAOYSA-N
XLogP2.81
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2,6-diethyl-1H-pyridin-4-one?
The IUPAC name of 3,5-dichloro-2,6-diethyl-1H-pyridin-4-one (CID 613051) is 3,5-dichloro-2,6-diethyl-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dichloro-2,6-diethyl-1H-pyridin-4-one?
The canonical SMILES for 3,5-dichloro-2,6-diethyl-1H-pyridin-4-one is CCc1[nH]c(CC)c(Cl)c(=O)c1Cl.
What is the InChIKey of 3,5-dichloro-2,6-diethyl-1H-pyridin-4-one?
The InChIKey is BAURIWHBBAFDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-3-5-7(10)9(13)8(11)6(4-2)12-5/h3-4H2,1-2H3,(H,12,13).
What are the key properties of 3,5-dichloro-2,6-diethyl-1H-pyridin-4-one?
3,5-dichloro-2,6-diethyl-1H-pyridin-4-one has a molecular weight of 220.10 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,6-diethyl-1H-pyridin-4-one is sourced from PubChem (CID 613051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).