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

C18H22BNO2 — CID 131375541

IUPAC3-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
SMILESB1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CN=CC(=C3)C
InChIInChI=1S/C18H22BNO2/c1-13-10-15(12-20-11-13)14-6-8-16(9-7-14)19-21-17(2,3)18(4,5)22-19/h6-12H,1-5H3
InChIKeyGMUWDKSEUCLLTO-UHFFFAOYSA-N
MW295.20 g/mol
LogP—
Rot. Bonds2

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

3-Methyl-5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine (PubChem CID 131375541) has the molecular formula C18H22BNO2 and a molecular weight of 295.20 g/mol. Its IUPAC name is 3-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name3-Methyl-5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine
PubChem CID131375541
Molecular FormulaC18H22BNO2
Molecular Weight295.20 g/mol
Exact Mass295.17
IUPAC Name3-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
SMILESB1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CN=CC(=C3)C
InChIInChI=1S/C18H22BNO2/c1-13-10-15(12-20-11-13)14-6-8-16(9-7-14)19-21-17(2,3)18(4,5)22-19/h6-12H,1-5H3
InChIKeyGMUWDKSEUCLLTO-UHFFFAOYSA-N
XLogP—
TPSA31.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity375

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-Methyl-5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine?
The IUPAC name of 3-Methyl-5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine (CID 131375541) is 3-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.
What is the SMILES notation for 3-Methyl-5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine?
The canonical SMILES for 3-Methyl-5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CN=CC(=C3)C.
What is the InChIKey of 3-Methyl-5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine?
The InChIKey is GMUWDKSEUCLLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BNO2/c1-13-10-15(12-20-11-13)14-6-8-16(9-7-14)19-21-17(2,3)18(4,5)22-19/h6-12H,1-5H3.
What are the key properties of 3-Methyl-5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine?
3-Methyl-5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine has a molecular weight of 295.20 g/mol, XLogP of not available, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Methyl-5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine is sourced from PubChem (CID 131375541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).