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

C34H36B2F2N2O4 — CID 155908883

IUPAC5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
SMILESCC1(C)OB(c2ccc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3-c3ccc(F)cn3)c(-c3ccc(F)cn3)c2)OC1(C)C
InChIInChI=1S/C34H36B2F2N2O4/c1-31(2)32(3,4)42-35(41-31)21-9-13-25(27(17-21)29-15-11-23(37)19-39-29)26-14-10-22(36-43-33(5,6)34(7,8)44-36)18-28(26)30-16-12-24(38)20-40-30/h9-20H,1-8H3
InChIKeyWHXUATJVDVSJNM-UHFFFAOYSA-N
MW596.29 g/mol
LogP6.35
Rot. Bonds5

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

5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (PubChem CID 155908883) has the molecular formula C34H36B2F2N2O4 and a molecular weight of 596.29 g/mol. Its IUPAC name is 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
PubChem CID155908883
Molecular FormulaC34H36B2F2N2O4
Molecular Weight596.29 g/mol
Exact Mass596.28
IUPAC Name5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
SMILESCC1(C)OB(c2ccc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3-c3ccc(F)cn3)c(-c3ccc(F)cn3)c2)OC1(C)C
InChIInChI=1S/C34H36B2F2N2O4/c1-31(2)32(3,4)42-35(41-31)21-9-13-25(27(17-21)29-15-11-23(37)19-39-29)26-14-10-22(36-43-33(5,6)34(7,8)44-36)18-28(26)30-16-12-24(38)20-40-30/h9-20H,1-8H3
InChIKeyWHXUATJVDVSJNM-UHFFFAOYSA-N
XLogP6.35
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.29
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(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

2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 45786526
2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine
CID 53482118
2-(4-Fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 44755190
2-(4-Fluorophenyl)pyridine-4-boronic acid pinacol ester
CID 45786006
2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine
CID 57668831
2-[4-Fluoro-2-(5-fluoro-2-pyridin-2-ylphenyl)phenyl]pyridine
CID 44475470
2-[2-Fluoro-6-(3-fluoro-2-pyridin-2-ylphenyl)phenyl]pyridine
CID 12000294
2-fluoro-3-[(1R)-1-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]pyridine
CID 102191489
2-[4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 102530992
2-(2-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine
CID 131329618
2-Pyridin-2-yl-5-[2-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine
CID 134956623
2-Pyridin-2-yl-5-[4-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]phenyl]pyridine
CID 138982390

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The IUPAC name of 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (CID 155908883) is 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.
What is the SMILES notation for 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The canonical SMILES for 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is CC1(C)OB(c2ccc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3-c3ccc(F)cn3)c(-c3ccc(F)cn3)c2)OC1(C)C.
What is the InChIKey of 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The InChIKey is WHXUATJVDVSJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36B2F2N2O4/c1-31(2)32(3,4)42-35(41-31)21-9-13-25(27(17-21)29-15-11-23(37)19-39-29)26-14-10-22(36-43-33(5,6)34(7,8)44-36)18-28(26)30-16-12-24(38)20-40-30/h9-20H,1-8H3.
What are the key properties of 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine has a molecular weight of 596.29 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-[2-(5-fluoro-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is sourced from PubChem (CID 155908883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).