4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine

C14H20BNO2 — CID 57416520

IUPAC4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
SMILESCc1ccncc1/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H20BNO2/c1-11-7-9-16-10-12(11)6-8-15-17-13(2,3)14(4,5)18-15/h6-10H,1-5H3/b8-6+
InChIKeyRMFXNARRXPIWBO-SOFGYWHQSA-N
MW245.13 g/mol
LogP3.03
Rot. Bonds2

About 4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine

4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine (PubChem CID 57416520) has the molecular formula C14H20BNO2 and a molecular weight of 245.13 g/mol. Its IUPAC name is 4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine.

Molecular Properties

Compound Name4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
PubChem CID57416520
Molecular FormulaC14H20BNO2
Molecular Weight245.13 g/mol
Exact Mass245.16
IUPAC Name4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
SMILESCc1ccncc1/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H20BNO2/c1-11-7-9-16-10-12(11)6-8-15-17-13(2,3)14(4,5)18-15/h6-10H,1-5H3/b8-6+
InChIKeyRMFXNARRXPIWBO-SOFGYWHQSA-N
XLogP3.03
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 53.03
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 4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The IUPAC name of 4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine (CID 57416520) is 4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine.
What is the SMILES notation for 4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The canonical SMILES for 4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine is Cc1ccncc1/C=C/B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The InChIKey is RMFXNARRXPIWBO-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H20BNO2/c1-11-7-9-16-10-12(11)6-8-15-17-13(2,3)14(4,5)18-15/h6-10H,1-5H3/b8-6+.
What are the key properties of 4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine has a molecular weight of 245.13 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine is sourced from PubChem (CID 57416520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).