1-(3,6-dichloropyridazin-4-yl)propan-1-one

C7H6Cl2N2O — CID 143819849

IUPAC1-(3,6-dichloropyridazin-4-yl)propan-1-one
SMILESCCC(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C7H6Cl2N2O/c1-2-5(12)4-3-6(8)10-11-7(4)9/h3H,2H2,1H3
InChIKeyOJEYMBJOXMZTDZ-UHFFFAOYSA-N
MW205.04 g/mol
LogP2.38
Rot. Bonds2

About 1-(3,6-dichloropyridazin-4-yl)propan-1-one

1-(3,6-dichloropyridazin-4-yl)propan-1-one (PubChem CID 143819849) has the molecular formula C7H6Cl2N2O and a molecular weight of 205.04 g/mol. Its IUPAC name is 1-(3,6-dichloropyridazin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,6-dichloropyridazin-4-yl)propan-1-one
PubChem CID143819849
Molecular FormulaC7H6Cl2N2O
Molecular Weight205.04 g/mol
Exact Mass203.99
IUPAC Name1-(3,6-dichloropyridazin-4-yl)propan-1-one
SMILESCCC(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C7H6Cl2N2O/c1-2-5(12)4-3-6(8)10-11-7(4)9/h3H,2H2,1H3
InChIKeyOJEYMBJOXMZTDZ-UHFFFAOYSA-N
XLogP2.38
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichloropyridazin-4-yl)propan-1-one?
The IUPAC name of 1-(3,6-dichloropyridazin-4-yl)propan-1-one (CID 143819849) is 1-(3,6-dichloropyridazin-4-yl)propan-1-one.
What is the SMILES notation for 1-(3,6-dichloropyridazin-4-yl)propan-1-one?
The canonical SMILES for 1-(3,6-dichloropyridazin-4-yl)propan-1-one is CCC(=O)c1cc(Cl)nnc1Cl.
What is the InChIKey of 1-(3,6-dichloropyridazin-4-yl)propan-1-one?
The InChIKey is OJEYMBJOXMZTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O/c1-2-5(12)4-3-6(8)10-11-7(4)9/h3H,2H2,1H3.
What are the key properties of 1-(3,6-dichloropyridazin-4-yl)propan-1-one?
1-(3,6-dichloropyridazin-4-yl)propan-1-one has a molecular weight of 205.04 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichloropyridazin-4-yl)propan-1-one is sourced from PubChem (CID 143819849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).