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

C22H30B2N2O4 — CID 166441900

IUPAC2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pyridinyl]pyridine
SMILESCC1(C)OB(c2cc(-c3ccnc(B4OC(C)(C)C(C)(C)O4)c3)ccn2)OC1(C)C
InChIInChI=1S/C22H30B2N2O4/c1-19(2)20(3,4)28-23(27-19)17-13-15(9-11-25-17)16-10-12-26-18(14-16)24-29-21(5,6)22(7,8)30-24/h9-14H,1-8H3
InChIKeyJSKFHZVGVZAMAS-UHFFFAOYSA-N
MW408.12 g/mol
LogP2.74
Rot. Bonds3

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

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pyridinyl]pyridine (PubChem CID 166441900) has the molecular formula C22H30B2N2O4 and a molecular weight of 408.12 g/mol. Its IUPAC name is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pyridinyl]pyridine.

Molecular Properties

Compound Name2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pyridinyl]pyridine
PubChem CID166441900
Molecular FormulaC22H30B2N2O4
Molecular Weight408.12 g/mol
Exact Mass408.24
IUPAC Name2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pyridinyl]pyridine
SMILESCC1(C)OB(c2cc(-c3ccnc(B4OC(C)(C)C(C)(C)O4)c3)ccn2)OC1(C)C
InChIInChI=1S/C22H30B2N2O4/c1-19(2)20(3,4)28-23(27-19)17-13-15(9-11-25-17)16-10-12-26-18(14-16)24-29-21(5,6)22(7,8)30-24/h9-14H,1-8H3
InChIKeyJSKFHZVGVZAMAS-UHFFFAOYSA-N
XLogP2.74
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.12
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

4,4'-Bipyridine
CID 11107
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 2734648
3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 17750283
4,4'-Bipyridinium, 1,1'-dihexyl-
CID 41852
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 2734656
Pyridine-2-boronic acid, pinacol ester
CID 11241171
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carbonitrile
CID 15984297
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
CID 16102695
Ethyl viologen diperchlorate
CID 16212420
4,4'-Dipyridyl-D8
CID 16217606
2-Methylpyridine-4-boronic acid pinacol ester
CID 16414274
5-Methylpyridine-2-boronic acid, pinacol ester
CID 42614587

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pyridinyl]pyridine?
The IUPAC name of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pyridinyl]pyridine (CID 166441900) is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pyridinyl]pyridine.
What is the SMILES notation for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pyridinyl]pyridine?
The canonical SMILES for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pyridinyl]pyridine is CC1(C)OB(c2cc(-c3ccnc(B4OC(C)(C)C(C)(C)O4)c3)ccn2)OC1(C)C.
What is the InChIKey of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pyridinyl]pyridine?
The InChIKey is JSKFHZVGVZAMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30B2N2O4/c1-19(2)20(3,4)28-23(27-19)17-13-15(9-11-25-17)16-10-12-26-18(14-16)24-29-21(5,6)22(7,8)30-24/h9-14H,1-8H3.
What are the key properties of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pyridinyl]pyridine?
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pyridinyl]pyridine has a molecular weight of 408.12 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pyridinyl]pyridine is sourced from PubChem (CID 166441900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).