2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid

C7H6Cl2N2O3 — CID 162727264

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N2O3/c1-3(7(13)14)11-6(12)5(9)4(8)2-10-11/h2-3H,1H3,(H,13,14)
InChIKeyVZYHSYUOVLQQCJ-UHFFFAOYSA-N
MW237.04 g/mol
LogP1.20
Rot. Bonds2

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid

2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 162727264) has the molecular formula C7H6Cl2N2O3 and a molecular weight of 237.04 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid
PubChem CID162727264
Molecular FormulaC7H6Cl2N2O3
Molecular Weight237.04 g/mol
Exact Mass235.98
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N2O3/c1-3(7(13)14)11-6(12)5(9)4(8)2-10-11/h2-3H,1H3,(H,13,14)
InChIKeyVZYHSYUOVLQQCJ-UHFFFAOYSA-N
XLogP1.20
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid 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 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid (CID 162727264) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid is CC(C(=O)O)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is VZYHSYUOVLQQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O3/c1-3(7(13)14)11-6(12)5(9)4(8)2-10-11/h2-3H,1H3,(H,13,14).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid?
2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 237.04 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 162727264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).