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

C22H34B2N4O4 — CID 131734669

IUPAC5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2ccc(N)nc2)OC1(C)C.CC1(C)OB(c2ccc(N)nc2)OC1(C)C
InChIInChI=1S/2C11H17BN2O2/c2*1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h2*5-7H,1-4H3,(H2,13,14)
InChIKeyIGZCYJHEVCDQQS-UHFFFAOYSA-N
MW440.16 g/mol
LogP1.93
Rot. Bonds2

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

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 131734669) has the molecular formula C22H34B2N4O4 and a molecular weight of 440.16 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID131734669
Molecular FormulaC22H34B2N4O4
Molecular Weight440.16 g/mol
Exact Mass440.28
IUPAC Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2ccc(N)nc2)OC1(C)C.CC1(C)OB(c2ccc(N)nc2)OC1(C)C
InChIInChI=1S/2C11H17BN2O2/c2*1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h2*5-7H,1-4H3,(H2,13,14)
InChIKeyIGZCYJHEVCDQQS-UHFFFAOYSA-N
XLogP1.93
TPSA114.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.16
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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)pyridin-2-amine?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 131734669) is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccc(N)nc2)OC1(C)C.CC1(C)OB(c2ccc(N)nc2)OC1(C)C.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is IGZCYJHEVCDQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H17BN2O2/c2*1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h2*5-7H,1-4H3,(H2,13,14).
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 440.16 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 131734669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).