4,5-dichloropyridazin-3-olate

C4HCl2N2O- — CID 40776020

IUPAC4,5-dichloropyridazin-3-olate
SMILES[O-]c1nncc(Cl)c1Cl
InChIInChI=1S/C4H2Cl2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9)/p-1
InChIKeyVJWXIRQLLGYIDI-UHFFFAOYSA-M
MW163.97 g/mol
LogP0.86
Rot. Bonds

About 4,5-dichloropyridazin-3-olate

4,5-dichloropyridazin-3-olate (PubChem CID 40776020) has the molecular formula C4HCl2N2O- and a molecular weight of 163.97 g/mol. Its IUPAC name is 4,5-dichloropyridazin-3-olate.

Molecular Properties

Compound Name4,5-dichloropyridazin-3-olate
PubChem CID40776020
Molecular FormulaC4HCl2N2O-
Molecular Weight163.97 g/mol
Exact Mass162.95
IUPAC Name4,5-dichloropyridazin-3-olate
SMILES[O-]c1nncc(Cl)c1Cl
InChIInChI=1S/C4H2Cl2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9)/p-1
InChIKeyVJWXIRQLLGYIDI-UHFFFAOYSA-M
XLogP0.86
TPSA48.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.97
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloropyridazin-3-olate?
The IUPAC name of 4,5-dichloropyridazin-3-olate (CID 40776020) is 4,5-dichloropyridazin-3-olate.
What is the SMILES notation for 4,5-dichloropyridazin-3-olate?
The canonical SMILES for 4,5-dichloropyridazin-3-olate is [O-]c1nncc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloropyridazin-3-olate?
The InChIKey is VJWXIRQLLGYIDI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H2Cl2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9)/p-1.
What are the key properties of 4,5-dichloropyridazin-3-olate?
4,5-dichloropyridazin-3-olate has a molecular weight of 163.97 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloropyridazin-3-olate is sourced from PubChem (CID 40776020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).