1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol

C15H23BN2O3 — CID 53398492

IUPAC1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCC1(C)OB(c2cccc(N3CCC(O)C3)n2)OC1(C)C
InChIInChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)12-6-5-7-13(17-12)18-9-8-11(19)10-18/h5-7,11,19H,8-10H2,1-4H3
InChIKeyNNGXFSAATAXHSX-UHFFFAOYSA-N
MW290.17 g/mol
LogP0.95
Rot. Bonds2

About 1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol

1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 53398492) has the molecular formula C15H23BN2O3 and a molecular weight of 290.17 g/mol. Its IUPAC name is 1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID53398492
Molecular FormulaC15H23BN2O3
Molecular Weight290.17 g/mol
Exact Mass290.18
IUPAC Name1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCC1(C)OB(c2cccc(N3CCC(O)C3)n2)OC1(C)C
InChIInChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)12-6-5-7-13(17-12)18-9-8-11(19)10-18/h5-7,11,19H,8-10H2,1-4H3
InChIKeyNNGXFSAATAXHSX-UHFFFAOYSA-N
XLogP0.95
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol (CID 53398492) is 1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol is CC1(C)OB(c2cccc(N3CCC(O)C3)n2)OC1(C)C.
What is the InChIKey of 1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is NNGXFSAATAXHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)12-6-5-7-13(17-12)18-9-8-11(19)10-18/h5-7,11,19H,8-10H2,1-4H3.
What are the key properties of 1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol?
1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 290.17 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 53398492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).