2-methoxy-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine

C20H26BNO3 — CID 102191490

IUPAC2-methoxy-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine
SMILESCOc1ncccc1[C@@](C)(B1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C20H26BNO3/c1-18(2)19(3,4)25-21(24-18)20(5,15-11-8-7-9-12-15)16-13-10-14-22-17(16)23-6/h7-14H,1-6H3/t20-/m0/s1
InChIKeyGAQYNBPUJMCBTO-FQEVSTJZSA-N
MW339.24 g/mol
LogP4.03
Rot. Bonds4

About 2-methoxy-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine

2-methoxy-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine (PubChem CID 102191490) has the molecular formula C20H26BNO3 and a molecular weight of 339.24 g/mol. Its IUPAC name is 2-methoxy-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-methoxy-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine
PubChem CID102191490
Molecular FormulaC20H26BNO3
Molecular Weight339.24 g/mol
Exact Mass339.20
IUPAC Name2-methoxy-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine
SMILESCOc1ncccc1[C@@](C)(B1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C20H26BNO3/c1-18(2)19(3,4)25-21(24-18)20(5,15-11-8-7-9-12-15)16-13-10-14-22-17(16)23-6/h7-14H,1-6H3/t20-/m0/s1
InChIKeyGAQYNBPUJMCBTO-FQEVSTJZSA-N
XLogP4.03
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 54.03
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-methoxy-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine?
The IUPAC name of 2-methoxy-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine (CID 102191490) is 2-methoxy-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine.
What is the SMILES notation for 2-methoxy-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine?
The canonical SMILES for 2-methoxy-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine is COc1ncccc1[C@@](C)(B1OC(C)(C)C(C)(C)O1)c1ccccc1.
What is the InChIKey of 2-methoxy-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine?
The InChIKey is GAQYNBPUJMCBTO-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26BNO3/c1-18(2)19(3,4)25-21(24-18)20(5,15-11-8-7-9-12-15)16-13-10-14-22-17(16)23-6/h7-14H,1-6H3/t20-/m0/s1.
What are the key properties of 2-methoxy-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine?
2-methoxy-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine has a molecular weight of 339.24 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine is sourced from PubChem (CID 102191490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).