(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane

C38H69BrN4Si2Sn — CID 159574067

IUPAC(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane
SMILESCC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.CCCC[Sn](CCCC)(CCCC)c1cnc2c(c1)CCN2[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H21BrN2Si.C13H21N2Si.3C4H9.Sn/c1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;1-13(2,3)16(4,5)15-10-8-11-7-6-9-14-12(11)15;3*1-3-4-2;/h8-9H,6-7H2,1-5H3;7,9H,8,10H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyMIEHIAMCXKYBKB-UHFFFAOYSA-N
MW836.78 g/mol
LogP11.72
Rot. Bonds12

About (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane

(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane (PubChem CID 159574067) has the molecular formula C38H69BrN4Si2Sn and a molecular weight of 836.78 g/mol. Its IUPAC name is (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane.

Molecular Properties

Compound Name(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane
PubChem CID159574067
Molecular FormulaC38H69BrN4Si2Sn
Molecular Weight836.78 g/mol
Exact Mass836.33
IUPAC Name(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane
SMILESCC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.CCCC[Sn](CCCC)(CCCC)c1cnc2c(c1)CCN2[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H21BrN2Si.C13H21N2Si.3C4H9.Sn/c1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;1-13(2,3)16(4,5)15-10-8-11-7-6-9-14-12(11)15;3*1-3-4-2;/h8-9H,6-7H2,1-5H3;7,9H,8,10H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyMIEHIAMCXKYBKB-UHFFFAOYSA-N
XLogP11.72
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.78
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane with MolForge

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Related Compounds

4-Bromo-1-(triisopropylsilyl)-7-azaindole
CID 11473655
5-Bromo-3-iodo-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine
CID 24229231
5-bromo-1-methyl-1H,2H,3H-pyrrolo(2,3-b)pyridine
CID 58730933
1H-Pyrrolo[2,3-B]pyridine, 3-bromo-1-[(1,1-dimethylethyl)dimethylsilyl]-
CID 21669151
5-Bromo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
CID 24229223
1H-Pyrrolo[2,3-B]pyridine, 5-bromo-1-[(1,1-dimethylethyl)dimethylsilyl]-
CID 49759018
3-bromo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
CID 58086848
1-(5-Bromo-3-methyl-2-pyridinyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
CID 57109169
(5-Bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
CID 58512079
[5-Bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
CID 58512597
5-Bromo-1-(tert-butyl-dimethyl-silanyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 58730929
1-(tert-Butyl-dimethyl-silanyl)-5-tributylstannanyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 58730931

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane?
The IUPAC name of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane (CID 159574067) is (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane.
What is the SMILES notation for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane?
The canonical SMILES for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane is CC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.CCCC[Sn](CCCC)(CCCC)c1cnc2c(c1)CCN2[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane?
The InChIKey is MIEHIAMCXKYBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2Si.C13H21N2Si.3C4H9.Sn/c1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16;1-13(2,3)16(4,5)15-10-8-11-7-6-9-14-12(11)15;3*1-3-4-2;/h8-9H,6-7H2,1-5H3;7,9H,8,10H2,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane?
(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane has a molecular weight of 836.78 g/mol, XLogP of 11.72, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane is sourced from PubChem (CID 159574067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).