6-chloro-2-(2-chloropropyl)pyridazin-3-one

C7H8Cl2N2O — CID 14343593

IUPAC6-chloro-2-(2-chloropropyl)pyridazin-3-one
SMILESCC(Cl)Cn1nc(Cl)ccc1=O
InChIInChI=1S/C7H8Cl2N2O/c1-5(8)4-11-7(12)3-2-6(9)10-11/h2-3,5H,4H2,1H3
InChIKeyDXMDGPQOTUINRV-UHFFFAOYSA-N
MW207.06 g/mol
LogP1.52
Rot. Bonds2

About 6-chloro-2-(2-chloropropyl)pyridazin-3-one

6-chloro-2-(2-chloropropyl)pyridazin-3-one (PubChem CID 14343593) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 6-chloro-2-(2-chloropropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-(2-chloropropyl)pyridazin-3-one
PubChem CID14343593
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name6-chloro-2-(2-chloropropyl)pyridazin-3-one
SMILESCC(Cl)Cn1nc(Cl)ccc1=O
InChIInChI=1S/C7H8Cl2N2O/c1-5(8)4-11-7(12)3-2-6(9)10-11/h2-3,5H,4H2,1H3
InChIKeyDXMDGPQOTUINRV-UHFFFAOYSA-N
XLogP1.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Chloroethyl)-3-pyridazone
CID 12554432
2-(2-Chloroethyl)-6-(4-methoxy)-3(2h)-pyridazinone
CID 105061595
6-Chloro-2-(3-chloropropyl)pyridazin-3-one
CID 14343580
2-(3-Chloropropyl)pyridazin-3-one
CID 14343581
6-Chloro-2-(2-chloroethyl)pyridazin-3-one
CID 14343582
6-Chloro-2-ethyl-2H-pyridazin-3-one
CID 15833537
6-Chloro-2-(chloromethyl)pyridazin-3-one
CID 20310220
2-Butyl-6-chloropyridazin-3-one
CID 23555512
6-Chloro-2-propylpyridazin-3-one
CID 23555516
6-Chloro-2-(2-methylpropyl)pyridazin-3-one
CID 58125120
6-Chloro-2-propan-2-ylpyridazin-3-one
CID 68026314
2-Butan-2-yl-6-chloropyridazin-3-one
CID 68026459

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chloropropyl)pyridazin-3-one?
The IUPAC name of 6-chloro-2-(2-chloropropyl)pyridazin-3-one (CID 14343593) is 6-chloro-2-(2-chloropropyl)pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-(2-chloropropyl)pyridazin-3-one?
The canonical SMILES for 6-chloro-2-(2-chloropropyl)pyridazin-3-one is CC(Cl)Cn1nc(Cl)ccc1=O.
What is the InChIKey of 6-chloro-2-(2-chloropropyl)pyridazin-3-one?
The InChIKey is DXMDGPQOTUINRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-5(8)4-11-7(12)3-2-6(9)10-11/h2-3,5H,4H2,1H3.
What are the key properties of 6-chloro-2-(2-chloropropyl)pyridazin-3-one?
6-chloro-2-(2-chloropropyl)pyridazin-3-one has a molecular weight of 207.06 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-chloropropyl)pyridazin-3-one is sourced from PubChem (CID 14343593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).