4,5-dichloro-2-(1-hydroxyethyl)pyridazin-3-one

C6H6Cl2N2O2 — CID 67870346

IUPAC4,5-dichloro-2-(1-hydroxyethyl)pyridazin-3-one
SMILESCC(O)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C6H6Cl2N2O2/c1-3(11)10-6(12)5(8)4(7)2-9-10/h2-3,11H,1H3
InChIKeyRLUYXRGXNXYOEG-UHFFFAOYSA-N
MW209.03 g/mol
LogP1.06
Rot. Bonds1

About 4,5-dichloro-2-(1-hydroxyethyl)pyridazin-3-one

4,5-dichloro-2-(1-hydroxyethyl)pyridazin-3-one (PubChem CID 67870346) has the molecular formula C6H6Cl2N2O2 and a molecular weight of 209.03 g/mol. Its IUPAC name is 4,5-dichloro-2-(1-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(1-hydroxyethyl)pyridazin-3-one
PubChem CID67870346
Molecular FormulaC6H6Cl2N2O2
Molecular Weight209.03 g/mol
Exact Mass207.98
IUPAC Name4,5-dichloro-2-(1-hydroxyethyl)pyridazin-3-one
SMILESCC(O)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C6H6Cl2N2O2/c1-3(11)10-6(12)5(8)4(7)2-9-10/h2-3,11H,1H3
InChIKeyRLUYXRGXNXYOEG-UHFFFAOYSA-N
XLogP1.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.03
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(1-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(1-hydroxyethyl)pyridazin-3-one (CID 67870346) is 4,5-dichloro-2-(1-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(1-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(1-hydroxyethyl)pyridazin-3-one is CC(O)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(1-hydroxyethyl)pyridazin-3-one?
The InChIKey is RLUYXRGXNXYOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O2/c1-3(11)10-6(12)5(8)4(7)2-9-10/h2-3,11H,1H3.
What are the key properties of 4,5-dichloro-2-(1-hydroxyethyl)pyridazin-3-one?
4,5-dichloro-2-(1-hydroxyethyl)pyridazin-3-one has a molecular weight of 209.03 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(1-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 67870346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).