5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[5,4-b]pyridine;hydrochloride

C12H17BClN3O2 — CID 155977948

IUPAC5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[5,4-b]pyridine;hydrochloride
SMILESCC1(C)OB(c2cnc3[nH]ncc3c2)OC1(C)C.Cl
InChIInChI=1S/C12H16BN3O2.ClH/c1-11(2)12(3,4)18-13(17-11)9-5-8-6-15-16-10(8)14-7-9;/h5-7H,1-4H3,(H,14,15,16);1H
InChIKeyVNIRWLPWXRIASA-UHFFFAOYSA-N
MW281.55 g/mol
LogP1.68
Rot. Bonds1

About 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[5,4-b]pyridine;hydrochloride

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[5,4-b]pyridine;hydrochloride (PubChem CID 155977948) has the molecular formula C12H17BClN3O2 and a molecular weight of 281.55 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[5,4-b]pyridine;hydrochloride.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[5,4-b]pyridine;hydrochloride
PubChem CID155977948
Molecular FormulaC12H17BClN3O2
Molecular Weight281.55 g/mol
Exact Mass281.11
IUPAC Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[5,4-b]pyridine;hydrochloride
SMILESCC1(C)OB(c2cnc3[nH]ncc3c2)OC1(C)C.Cl
InChIInChI=1S/C12H16BN3O2.ClH/c1-11(2)12(3,4)18-13(17-11)9-5-8-6-15-16-10(8)14-7-9;/h5-7H,1-4H3,(H,14,15,16);1H
InChIKeyVNIRWLPWXRIASA-UHFFFAOYSA-N
XLogP1.68
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.55
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[5,4-b]pyridine;hydrochloride?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[5,4-b]pyridine;hydrochloride (CID 155977948) is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[5,4-b]pyridine;hydrochloride.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[5,4-b]pyridine;hydrochloride?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[5,4-b]pyridine;hydrochloride is CC1(C)OB(c2cnc3[nH]ncc3c2)OC1(C)C.Cl.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[5,4-b]pyridine;hydrochloride?
The InChIKey is VNIRWLPWXRIASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BN3O2.ClH/c1-11(2)12(3,4)18-13(17-11)9-5-8-6-15-16-10(8)14-7-9;/h5-7H,1-4H3,(H,14,15,16);1H.
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[5,4-b]pyridine;hydrochloride?
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[5,4-b]pyridine;hydrochloride has a molecular weight of 281.55 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[5,4-b]pyridine;hydrochloride is sourced from PubChem (CID 155977948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).