tert-butyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetate

C10H12Cl2N2O3 — CID 164914330

IUPACtert-butyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetate
SMILESCC(C)(C)OC(=O)Cn1nc(Cl)c(Cl)cc1=O
InChIInChI=1S/C10H12Cl2N2O3/c1-10(2,3)17-8(16)5-14-7(15)4-6(11)9(12)13-14/h4H,5H2,1-3H3
InChIKeyOWZPPZAHUWHXSV-UHFFFAOYSA-N
MW279.12 g/mol
LogP1.89
Rot. Bonds2

About tert-butyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetate

tert-butyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetate (PubChem CID 164914330) has the molecular formula C10H12Cl2N2O3 and a molecular weight of 279.12 g/mol. Its IUPAC name is tert-butyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetate
PubChem CID164914330
Molecular FormulaC10H12Cl2N2O3
Molecular Weight279.12 g/mol
Exact Mass278.02
IUPAC Nametert-butyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetate
SMILESCC(C)(C)OC(=O)Cn1nc(Cl)c(Cl)cc1=O
InChIInChI=1S/C10H12Cl2N2O3/c1-10(2,3)17-8(16)5-14-7(15)4-6(11)9(12)13-14/h4H,5H2,1-3H3
InChIKeyOWZPPZAHUWHXSV-UHFFFAOYSA-N
XLogP1.89
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
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

Analyze tert-butyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetate?
The IUPAC name of tert-butyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetate (CID 164914330) is tert-butyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetate is CC(C)(C)OC(=O)Cn1nc(Cl)c(Cl)cc1=O.
What is the InChIKey of tert-butyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetate?
The InChIKey is OWZPPZAHUWHXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3/c1-10(2,3)17-8(16)5-14-7(15)4-6(11)9(12)13-14/h4H,5H2,1-3H3.
What are the key properties of tert-butyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetate?
tert-butyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetate has a molecular weight of 279.12 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 164914330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).