3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-amine;hydrochloride

C11H18BClN2O2 — CID 166640266

IUPAC3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-amine;hydrochloride
SMILESCC1(C)OB(c2cnccc2N)OC1(C)C.Cl
InChIInChI=1S/C11H17BN2O2.ClH/c1-10(2)11(3,4)16-12(15-10)8-7-14-6-5-9(8)13;/h5-7H,1-4H3,(H2,13,14);1H
InChIKeyIPQLIMWNUXNFCN-UHFFFAOYSA-N
MW256.54 g/mol
LogP1.38
Rot. Bonds1

About 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-amine;hydrochloride

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-amine;hydrochloride (PubChem CID 166640266) has the molecular formula C11H18BClN2O2 and a molecular weight of 256.54 g/mol. Its IUPAC name is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-amine;hydrochloride.

Molecular Properties

Compound Name3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-amine;hydrochloride
PubChem CID166640266
Molecular FormulaC11H18BClN2O2
Molecular Weight256.54 g/mol
Exact Mass256.11
IUPAC Name3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-amine;hydrochloride
SMILESCC1(C)OB(c2cnccc2N)OC1(C)C.Cl
InChIInChI=1S/C11H17BN2O2.ClH/c1-10(2)11(3,4)16-12(15-10)8-7-14-6-5-9(8)13;/h5-7H,1-4H3,(H2,13,14);1H
InChIKeyIPQLIMWNUXNFCN-UHFFFAOYSA-N
XLogP1.38
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.54
LogP ≤ 51.38
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 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-amine;hydrochloride?
The IUPAC name of 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-amine;hydrochloride (CID 166640266) is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-amine;hydrochloride.
What is the SMILES notation for 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-amine;hydrochloride?
The canonical SMILES for 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-amine;hydrochloride is CC1(C)OB(c2cnccc2N)OC1(C)C.Cl.
What is the InChIKey of 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-amine;hydrochloride?
The InChIKey is IPQLIMWNUXNFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BN2O2.ClH/c1-10(2)11(3,4)16-12(15-10)8-7-14-6-5-9(8)13;/h5-7H,1-4H3,(H2,13,14);1H.
What are the key properties of 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-amine;hydrochloride?
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-amine;hydrochloride has a molecular weight of 256.54 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-amine;hydrochloride is sourced from PubChem (CID 166640266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).