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

C17H19BClNO2 — CID 164662497

IUPAC4-(3-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cc(-c3cccc(Cl)c3)ccn2)OC1(C)C
InChIInChI=1S/C17H19BClNO2/c1-16(2)17(3,4)22-18(21-16)15-11-13(8-9-20-15)12-6-5-7-14(19)10-12/h5-11H,1-4H3
InChIKeyZWUGHMLHVHLHDM-UHFFFAOYSA-N
MW315.61 g/mol
LogP3.70
Rot. Bonds2

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

4-(3-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 164662497) has the molecular formula C17H19BClNO2 and a molecular weight of 315.61 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID164662497
Molecular FormulaC17H19BClNO2
Molecular Weight315.61 g/mol
Exact Mass315.12
IUPAC Name4-(3-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2cc(-c3cccc(Cl)c3)ccn2)OC1(C)C
InChIInChI=1S/C17H19BClNO2/c1-16(2)17(3,4)22-18(21-16)15-11-13(8-9-20-15)12-6-5-7-14(19)10-12/h5-11H,1-4H3
InChIKeyZWUGHMLHVHLHDM-UHFFFAOYSA-N
XLogP3.70
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.61
LogP ≤ 53.70
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-(3-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 4-(3-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 164662497) is 4-(3-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 4-(3-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 4-(3-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2cc(-c3cccc(Cl)c3)ccn2)OC1(C)C.
What is the InChIKey of 4-(3-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is ZWUGHMLHVHLHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BClNO2/c1-16(2)17(3,4)22-18(21-16)15-11-13(8-9-20-15)12-6-5-7-14(19)10-12/h5-11H,1-4H3.
What are the key properties of 4-(3-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
4-(3-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 315.61 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 164662497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).