4,5-dichloro-2-(3-chlorooxan-2-yl)pyridazin-3-one

C9H9Cl3N2O2 — CID 23039510

IUPAC4,5-dichloro-2-(3-chlorooxan-2-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1C1OCCCC1Cl
InChIInChI=1S/C9H9Cl3N2O2/c10-5-2-1-3-16-9(5)14-8(15)7(12)6(11)4-13-14/h4-5,9H,1-3H2
InChIKeyUMHXGGTWNQJSGW-UHFFFAOYSA-N
MW283.54 g/mol
LogP2.47
Rot. Bonds1

About 4,5-dichloro-2-(3-chlorooxan-2-yl)pyridazin-3-one

4,5-dichloro-2-(3-chlorooxan-2-yl)pyridazin-3-one (PubChem CID 23039510) has the molecular formula C9H9Cl3N2O2 and a molecular weight of 283.54 g/mol. Its IUPAC name is 4,5-dichloro-2-(3-chlorooxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(3-chlorooxan-2-yl)pyridazin-3-one
PubChem CID23039510
Molecular FormulaC9H9Cl3N2O2
Molecular Weight283.54 g/mol
Exact Mass281.97
IUPAC Name4,5-dichloro-2-(3-chlorooxan-2-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1C1OCCCC1Cl
InChIInChI=1S/C9H9Cl3N2O2/c10-5-2-1-3-16-9(5)14-8(15)7(12)6(11)4-13-14/h4-5,9H,1-3H2
InChIKeyUMHXGGTWNQJSGW-UHFFFAOYSA-N
XLogP2.47
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.54
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

CID 10729262
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CID 10610335
CID 10610335
CID 54704159
CID 54704159
CID 67835723
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CID 69607165
CID 69607165
CID 70868502
CID 70868502
CID 70891927
CID 70891927
CID 141369661
CID 141369661
CID 163633599
CID 163633599
CID 169209858
CID 169209858
CID 169941898
CID 169941898
CID 172298937
CID 172298937

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(3-chlorooxan-2-yl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(3-chlorooxan-2-yl)pyridazin-3-one (CID 23039510) is 4,5-dichloro-2-(3-chlorooxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(3-chlorooxan-2-yl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(3-chlorooxan-2-yl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1C1OCCCC1Cl.
What is the InChIKey of 4,5-dichloro-2-(3-chlorooxan-2-yl)pyridazin-3-one?
The InChIKey is UMHXGGTWNQJSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3N2O2/c10-5-2-1-3-16-9(5)14-8(15)7(12)6(11)4-13-14/h4-5,9H,1-3H2.
What are the key properties of 4,5-dichloro-2-(3-chlorooxan-2-yl)pyridazin-3-one?
4,5-dichloro-2-(3-chlorooxan-2-yl)pyridazin-3-one has a molecular weight of 283.54 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(3-chlorooxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 23039510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).