4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl acetate

C10H12Cl2N2O3 — CID 10446300

IUPAC4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl acetate
SMILESCC(=O)OCCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H12Cl2N2O3/c1-7(15)17-5-3-2-4-14-10(16)9(12)8(11)6-13-14/h6H,2-5H2,1H3
InChIKeyQYFNIFZRWSZNTN-UHFFFAOYSA-N
MW279.12 g/mol
LogP1.89
Rot. Bonds5

About 4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl acetate

4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl acetate (PubChem CID 10446300) has the molecular formula C10H12Cl2N2O3 and a molecular weight of 279.12 g/mol. Its IUPAC name is 4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl acetate.

Molecular Properties

Compound Name4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl acetate
PubChem CID10446300
Molecular FormulaC10H12Cl2N2O3
Molecular Weight279.12 g/mol
Exact Mass278.02
IUPAC Name4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl acetate
SMILESCC(=O)OCCCCn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H12Cl2N2O3/c1-7(15)17-5-3-2-4-14-10(16)9(12)8(11)6-13-14/h6H,2-5H2,1H3
InChIKeyQYFNIFZRWSZNTN-UHFFFAOYSA-N
XLogP1.89
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl acetate?
The IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl acetate (CID 10446300) is 4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl acetate.
What is the SMILES notation for 4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl acetate?
The canonical SMILES for 4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl acetate is CC(=O)OCCCCn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl acetate?
The InChIKey is QYFNIFZRWSZNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3/c1-7(15)17-5-3-2-4-14-10(16)9(12)8(11)6-13-14/h6H,2-5H2,1H3.
What are the key properties of 4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl acetate?
4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl acetate has a molecular weight of 279.12 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloro-6-oxopyridazin-1-yl)butyl acetate is sourced from PubChem (CID 10446300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).