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

C15H23BN2O3 — CID 59619626

IUPAC(3R)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCC1(C)OB(c2ccc(N3CC[C@@H](O)C3)nc2)OC1(C)C
InChIInChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)11-5-6-13(17-9-11)18-8-7-12(19)10-18/h5-6,9,12,19H,7-8,10H2,1-4H3/t12-/m1/s1
InChIKeyXPCHHGJECYUSQD-GFCCVEGCSA-N
MW290.17 g/mol
LogP0.95
Rot. Bonds2

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

(3R)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 59619626) has the molecular formula C15H23BN2O3 and a molecular weight of 290.17 g/mol. Its IUPAC name is (3R)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID59619626
Molecular FormulaC15H23BN2O3
Molecular Weight290.17 g/mol
Exact Mass290.18
IUPAC Name(3R)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCC1(C)OB(c2ccc(N3CC[C@@H](O)C3)nc2)OC1(C)C
InChIInChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)11-5-6-13(17-9-11)18-8-7-12(19)10-18/h5-6,9,12,19H,7-8,10H2,1-4H3/t12-/m1/s1
InChIKeyXPCHHGJECYUSQD-GFCCVEGCSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol (CID 59619626) is (3R)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol is CC1(C)OB(c2ccc(N3CC[C@@H](O)C3)nc2)OC1(C)C.
What is the InChIKey of (3R)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is XPCHHGJECYUSQD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)11-5-6-13(17-9-11)18-8-7-12(19)10-18/h5-6,9,12,19H,7-8,10H2,1-4H3/t12-/m1/s1.
What are the key properties of (3R)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol?
(3R)-1-[5-(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 (3R)-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 59619626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).