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

C22H23BN2O2 — CID 138982596

IUPAC2-pyridin-2-yl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
SMILESCC1(C)OB(c2ccccc2-c2ccc(-c3ccccn3)nc2)OC1(C)C
InChIInChI=1S/C22H23BN2O2/c1-21(2)22(3,4)27-23(26-21)18-10-6-5-9-17(18)16-12-13-20(25-15-16)19-11-7-8-14-24-19/h5-15H,1-4H3
InChIKeyNLYYGEHVHAMDQJ-UHFFFAOYSA-N
MW358.25 g/mol
LogP4.11
Rot. Bonds3

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

2-pyridin-2-yl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (PubChem CID 138982596) has the molecular formula C22H23BN2O2 and a molecular weight of 358.25 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
PubChem CID138982596
Molecular FormulaC22H23BN2O2
Molecular Weight358.25 g/mol
Exact Mass358.19
IUPAC Name2-pyridin-2-yl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
SMILESCC1(C)OB(c2ccccc2-c2ccc(-c3ccccn3)nc2)OC1(C)C
InChIInChI=1S/C22H23BN2O2/c1-21(2)22(3,4)27-23(26-21)18-10-6-5-9-17(18)16-12-13-20(25-15-16)19-11-7-8-14-24-19/h5-15H,1-4H3
InChIKeyNLYYGEHVHAMDQJ-UHFFFAOYSA-N
XLogP4.11
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-pyridin-2-yl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Azatadine
CID 19861
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
2,5-Dipyridin-2-ylpyridine
CID 4580671
4,4'-Di-tert-butyl-2,2'-bipyridyl
CID 4249187
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
5-Methyl-2,2'-bipyridine
CID 11073848
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
4-Benzyl-1-pyridin-2-ylmethyl-pyridinium
CID 16682375
2-Phenyl-5-(pyridin-4-ylmethyl)pyridine
CID 57330009
2-Phenyl-5-(pyridin-3-ylmethyl)pyridine
CID 57330010

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The IUPAC name of 2-pyridin-2-yl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (CID 138982596) is 2-pyridin-2-yl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The canonical SMILES for 2-pyridin-2-yl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is CC1(C)OB(c2ccccc2-c2ccc(-c3ccccn3)nc2)OC1(C)C.
What is the InChIKey of 2-pyridin-2-yl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The InChIKey is NLYYGEHVHAMDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BN2O2/c1-21(2)22(3,4)27-23(26-21)18-10-6-5-9-17(18)16-12-13-20(25-15-16)19-11-7-8-14-24-19/h5-15H,1-4H3.
What are the key properties of 2-pyridin-2-yl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
2-pyridin-2-yl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine has a molecular weight of 358.25 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is sourced from PubChem (CID 138982596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).