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

C13H10Cl2N2O — CID 155935462

IUPAC3-(3,6-dichloropyridazin-4-yl)-1-phenylpropan-1-one
SMILESO=C(CCc1cc(Cl)nnc1Cl)c1ccccc1
InChIInChI=1S/C13H10Cl2N2O/c14-12-8-10(13(15)17-16-12)6-7-11(18)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyQJAFYKODKFNKGX-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.60
Rot. Bonds4

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

3-(3,6-dichloropyridazin-4-yl)-1-phenylpropan-1-one (PubChem CID 155935462) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 3-(3,6-dichloropyridazin-4-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(3,6-dichloropyridazin-4-yl)-1-phenylpropan-1-one
PubChem CID155935462
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name3-(3,6-dichloropyridazin-4-yl)-1-phenylpropan-1-one
SMILESO=C(CCc1cc(Cl)nnc1Cl)c1ccccc1
InChIInChI=1S/C13H10Cl2N2O/c14-12-8-10(13(15)17-16-12)6-7-11(18)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyQJAFYKODKFNKGX-UHFFFAOYSA-N
XLogP3.60
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dichloropyridazin-4-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(3,6-dichloropyridazin-4-yl)-1-phenylpropan-1-one (CID 155935462) is 3-(3,6-dichloropyridazin-4-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(3,6-dichloropyridazin-4-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(3,6-dichloropyridazin-4-yl)-1-phenylpropan-1-one is O=C(CCc1cc(Cl)nnc1Cl)c1ccccc1.
What is the InChIKey of 3-(3,6-dichloropyridazin-4-yl)-1-phenylpropan-1-one?
The InChIKey is QJAFYKODKFNKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-12-8-10(13(15)17-16-12)6-7-11(18)9-4-2-1-3-5-9/h1-5,8H,6-7H2.
What are the key properties of 3-(3,6-dichloropyridazin-4-yl)-1-phenylpropan-1-one?
3-(3,6-dichloropyridazin-4-yl)-1-phenylpropan-1-one has a molecular weight of 281.14 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dichloropyridazin-4-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 155935462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).