(3,6-dimethoxypyridazin-4-yl)boronic acid

C6H9BN2O4 — CID 46739292

IUPAC(3,6-dimethoxypyridazin-4-yl)boronic acid
SMILESCOc1cc(B(O)O)c(OC)nn1
InChIInChI=1S/C6H9BN2O4/c1-12-5-3-4(7(10)11)6(13-2)9-8-5/h3,10-11H,1-2H3
InChIKeyZMMDVCDFKFTXIC-UHFFFAOYSA-N
MW183.96 g/mol
LogP-1.83
Rot. Bonds3

About (3,6-dimethoxypyridazin-4-yl)boronic acid

(3,6-dimethoxypyridazin-4-yl)boronic acid (PubChem CID 46739292) has the molecular formula C6H9BN2O4 and a molecular weight of 183.96 g/mol. Its IUPAC name is (3,6-dimethoxypyridazin-4-yl)boronic acid.

Molecular Properties

Compound Name(3,6-dimethoxypyridazin-4-yl)boronic acid
PubChem CID46739292
Molecular FormulaC6H9BN2O4
Molecular Weight183.96 g/mol
Exact Mass184.07
IUPAC Name(3,6-dimethoxypyridazin-4-yl)boronic acid
SMILESCOc1cc(B(O)O)c(OC)nn1
InChIInChI=1S/C6H9BN2O4/c1-12-5-3-4(7(10)11)6(13-2)9-8-5/h3,10-11H,1-2H3
InChIKeyZMMDVCDFKFTXIC-UHFFFAOYSA-N
XLogP-1.83
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.96
LogP ≤ 5-1.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,6-dimethoxypyridazin-4-yl)boronic acid?
The IUPAC name of (3,6-dimethoxypyridazin-4-yl)boronic acid (CID 46739292) is (3,6-dimethoxypyridazin-4-yl)boronic acid.
What is the SMILES notation for (3,6-dimethoxypyridazin-4-yl)boronic acid?
The canonical SMILES for (3,6-dimethoxypyridazin-4-yl)boronic acid is COc1cc(B(O)O)c(OC)nn1.
What is the InChIKey of (3,6-dimethoxypyridazin-4-yl)boronic acid?
The InChIKey is ZMMDVCDFKFTXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BN2O4/c1-12-5-3-4(7(10)11)6(13-2)9-8-5/h3,10-11H,1-2H3.
What are the key properties of (3,6-dimethoxypyridazin-4-yl)boronic acid?
(3,6-dimethoxypyridazin-4-yl)boronic acid has a molecular weight of 183.96 g/mol, XLogP of -1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethoxypyridazin-4-yl)boronic acid is sourced from PubChem (CID 46739292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).