(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-pyridazin-4-ylborinic acid

C10H17BN2O3 — CID 66690958

IUPAC(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-pyridazin-4-ylborinic acid
SMILESCC(C)(O)C(C)(C)OB(O)c1ccnnc1
InChIInChI=1S/C10H17BN2O3/c1-9(2,14)10(3,4)16-11(15)8-5-6-12-13-7-8/h5-7,14-15H,1-4H3
InChIKeyVOUCJPVXNZBFPZ-UHFFFAOYSA-N
MW224.07 g/mol
LogP-0.27
Rot. Bonds4

About (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-pyridazin-4-ylborinic acid

(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-pyridazin-4-ylborinic acid (PubChem CID 66690958) has the molecular formula C10H17BN2O3 and a molecular weight of 224.07 g/mol. Its IUPAC name is (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-pyridazin-4-ylborinic acid.

Molecular Properties

Compound Name(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-pyridazin-4-ylborinic acid
PubChem CID66690958
Molecular FormulaC10H17BN2O3
Molecular Weight224.07 g/mol
Exact Mass224.13
IUPAC Name(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-pyridazin-4-ylborinic acid
SMILESCC(C)(O)C(C)(C)OB(O)c1ccnnc1
InChIInChI=1S/C10H17BN2O3/c1-9(2,14)10(3,4)16-11(15)8-5-6-12-13-7-8/h5-7,14-15H,1-4H3
InChIKeyVOUCJPVXNZBFPZ-UHFFFAOYSA-N
XLogP-0.27
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.07
LogP ≤ 5-0.27
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

4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine
CID 45787281
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine
CID 175489712
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)pyridazine
CID 45785944
5-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pyridazine
CID 72218995
3-(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)pyridazine
CID 140881574
Diethoxy(pyridazin-3-yl)borane
CID 140881581
Di(propan-2-yloxy)-pyridazin-4-ylborane
CID 140881623
Diethoxy(pyridazin-4-yl)borane
CID 140881628
4-(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)pyridazine
CID 140881632
Di(propan-2-yloxy)-pyridazin-3-ylborane
CID 140881675
1-Ethylcyclopropan-1-ol;4-methylpyridazine
CID 166543415
(3-Hydroxy-2,3-dimethylbutan-2-yl)oxy-pyridazin-3-ylborinic acid
CID 52987701

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-pyridazin-4-ylborinic acid?
The IUPAC name of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-pyridazin-4-ylborinic acid (CID 66690958) is (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-pyridazin-4-ylborinic acid.
What is the SMILES notation for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-pyridazin-4-ylborinic acid?
The canonical SMILES for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-pyridazin-4-ylborinic acid is CC(C)(O)C(C)(C)OB(O)c1ccnnc1.
What is the InChIKey of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-pyridazin-4-ylborinic acid?
The InChIKey is VOUCJPVXNZBFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN2O3/c1-9(2,14)10(3,4)16-11(15)8-5-6-12-13-7-8/h5-7,14-15H,1-4H3.
What are the key properties of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-pyridazin-4-ylborinic acid?
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-pyridazin-4-ylborinic acid has a molecular weight of 224.07 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-pyridazin-4-ylborinic acid is sourced from PubChem (CID 66690958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).