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

C15H23BN2O2 — CID 44755171

IUPAC2-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cccnc2N2CCCC2)OC1(C)C
InChIInChI=1S/C15H23BN2O2/c1-14(2)15(3,4)20-16(19-14)12-8-7-9-17-13(12)18-10-5-6-11-18/h7-9H,5-6,10-11H2,1-4H3
InChIKeyRKTXCUGUPDEZHR-UHFFFAOYSA-N
MW274.17 g/mol
LogP1.98
Rot. Bonds2

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

2-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 44755171) has the molecular formula C15H23BN2O2 and a molecular weight of 274.17 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID44755171
Molecular FormulaC15H23BN2O2
Molecular Weight274.17 g/mol
Exact Mass274.19
IUPAC Name2-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cccnc2N2CCCC2)OC1(C)C
InChIInChI=1S/C15H23BN2O2/c1-14(2)15(3,4)20-16(19-14)12-8-7-9-17-13(12)18-10-5-6-11-18/h7-9H,5-6,10-11H2,1-4H3
InChIKeyRKTXCUGUPDEZHR-UHFFFAOYSA-N
XLogP1.98
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 51.98
H-Bond Donors ≤ 50
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 2-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 44755171) is 2-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2cccnc2N2CCCC2)OC1(C)C.
What is the InChIKey of 2-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is RKTXCUGUPDEZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BN2O2/c1-14(2)15(3,4)20-16(19-14)12-8-7-9-17-13(12)18-10-5-6-11-18/h7-9H,5-6,10-11H2,1-4H3.
What are the key properties of 2-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 274.17 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 44755171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).