(6-cyanopyridazin-3-yl)boronic acid

C5H4BN3O2 — CID 162364821

IUPAC(6-cyanopyridazin-3-yl)boronic acid
SMILESN#Cc1ccc(B(O)O)nn1
InChIInChI=1S/C5H4BN3O2/c7-3-4-1-2-5(6(10)11)9-8-4/h1-2,10-11H
InChIKeyXUWOWVCBJZIBRO-UHFFFAOYSA-N
MW148.92 g/mol
LogP-1.97
Rot. Bonds1

About (6-cyanopyridazin-3-yl)boronic acid

(6-cyanopyridazin-3-yl)boronic acid (PubChem CID 162364821) has the molecular formula C5H4BN3O2 and a molecular weight of 148.92 g/mol. Its IUPAC name is (6-cyanopyridazin-3-yl)boronic acid.

Molecular Properties

Compound Name(6-cyanopyridazin-3-yl)boronic acid
PubChem CID162364821
Molecular FormulaC5H4BN3O2
Molecular Weight148.92 g/mol
Exact Mass149.04
IUPAC Name(6-cyanopyridazin-3-yl)boronic acid
SMILESN#Cc1ccc(B(O)O)nn1
InChIInChI=1S/C5H4BN3O2/c7-3-4-1-2-5(6(10)11)9-8-4/h1-2,10-11H
InChIKeyXUWOWVCBJZIBRO-UHFFFAOYSA-N
XLogP-1.97
TPSA90.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.92
LogP ≤ 5-1.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-fluoropyridazine-3-carbonitrile
CID 57415865
6-(aminomethyl)pyridazine-3-carbonitrile;hydrochloride
CID 164861602
2-(6-cyanopyridazin-3-yl)sulfanyl-2-methylpropanoic acid
CID 130817085
[6-cyano-2-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 91882930
(2-cyano-6-methoxyquinolin-7-yl)boronic acid
CID 125469646
6-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridazine-3-carbonitrile
CID 133420472
2-[(6-cyanopyridazin-3-yl)amino]propanamide
CID 130676267
6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile
CID 86814381
6-(cyclopentylamino)pyridazine-3-carbonitrile
CID 126988363
[6-cyano-4-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 91882838
6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile
CID 131122931
6-piperidin-4-yloxypyridazine-3-carbonitrile
CID 146286887

Frequently Asked Questions

What is the IUPAC name of (6-cyanopyridazin-3-yl)boronic acid?
The IUPAC name of (6-cyanopyridazin-3-yl)boronic acid (CID 162364821) is (6-cyanopyridazin-3-yl)boronic acid.
What is the SMILES notation for (6-cyanopyridazin-3-yl)boronic acid?
The canonical SMILES for (6-cyanopyridazin-3-yl)boronic acid is N#Cc1ccc(B(O)O)nn1.
What is the InChIKey of (6-cyanopyridazin-3-yl)boronic acid?
The InChIKey is XUWOWVCBJZIBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BN3O2/c7-3-4-1-2-5(6(10)11)9-8-4/h1-2,10-11H.
What are the key properties of (6-cyanopyridazin-3-yl)boronic acid?
(6-cyanopyridazin-3-yl)boronic acid has a molecular weight of 148.92 g/mol, XLogP of -1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyanopyridazin-3-yl)boronic acid is sourced from PubChem (CID 162364821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).