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

C12H18BNO3 — CID 44754862

IUPAC2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCOc1cc(B2OC(C)(C)C(C)(C)O2)ccn1
InChIInChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-7-14-10(8-9)15-5/h6-8H,1-5H3
InChIKeyRLHAGSICYJAHMN-UHFFFAOYSA-N
MW235.09 g/mol
LogP1.39
Rot. Bonds2

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

2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 44754862) has the molecular formula C12H18BNO3 and a molecular weight of 235.09 g/mol. Its IUPAC name is 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID44754862
Molecular FormulaC12H18BNO3
Molecular Weight235.09 g/mol
Exact Mass235.14
IUPAC Name2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCOc1cc(B2OC(C)(C)C(C)(C)O2)ccn1
InChIInChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-7-14-10(8-9)15-5/h6-8H,1-5H3
InChIKeyRLHAGSICYJAHMN-UHFFFAOYSA-N
XLogP1.39
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.09
LogP ≤ 51.39
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-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 44754862) is 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is COc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.
What is the InChIKey of 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is RLHAGSICYJAHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-7-14-10(8-9)15-5/h6-8H,1-5H3.
What are the key properties of 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 235.09 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 44754862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).