5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-diamine

C11H18BN3O2 — CID 46738008

IUPAC5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-diamine
SMILESCC1(C)OB(c2cnc(N)c(N)c2)OC1(C)C
InChIInChI=1S/C11H18BN3O2/c1-10(2)11(3,4)17-12(16-10)7-5-8(13)9(14)15-6-7/h5-6H,13H2,1-4H3,(H2,14,15)
InChIKeyXYAJKHYERTYNDS-UHFFFAOYSA-N
MW235.10 g/mol
LogP0.55
Rot. Bonds1

About 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-diamine

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-diamine (PubChem CID 46738008) has the molecular formula C11H18BN3O2 and a molecular weight of 235.10 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-diamine
PubChem CID46738008
Molecular FormulaC11H18BN3O2
Molecular Weight235.10 g/mol
Exact Mass235.15
IUPAC Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-diamine
SMILESCC1(C)OB(c2cnc(N)c(N)c2)OC1(C)C
InChIInChI=1S/C11H18BN3O2/c1-10(2)11(3,4)17-12(16-10)7-5-8(13)9(14)15-6-7/h5-6H,13H2,1-4H3,(H2,14,15)
InChIKeyXYAJKHYERTYNDS-UHFFFAOYSA-N
XLogP0.55
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)pyridine-2,3-diamine?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-diamine (CID 46738008) is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-diamine.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-diamine?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-diamine is CC1(C)OB(c2cnc(N)c(N)c2)OC1(C)C.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-diamine?
The InChIKey is XYAJKHYERTYNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BN3O2/c1-10(2)11(3,4)17-12(16-10)7-5-8(13)9(14)15-6-7/h5-6H,13H2,1-4H3,(H2,14,15).
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-diamine?
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-diamine has a molecular weight of 235.10 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,3-diamine is sourced from PubChem (CID 46738008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).