5-chloro-1-(triisopropylsilyl)-4-[2-(trimethylsilyl)ethynyl]pyrrolo[2,3-b]pyridine|5-chloro-4-[2-(trimethylsilyl)ethynyl]-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine|5-Chloro-1-(triisopropy...

General Information

Structure

Molecular Formula

C₂₁H₃₃ClN₂Si₂

Molecular Mass

405.12412

Exact Mass

404.18707981

Charge

InChI

InChI=1S/C21H33ClN2Si2/c1-15(2)26(16(3)4,17(5)6)24-12-10-19-18(11-13-25(7,8)9)20(22)14-23-21(19)24/h10,12,14-17H,1-9H3

InChIKey

UEWZHESADZMKDB-UHFFFAOYSA-N

Canonic Smiles

Clc1cnc2c(c1C#C[Si](C)(C)C)ccn2[Si](C(C)C)(C(C)C)C(C)C

Isomeric Smiles

c1(cnc2c(c1C#C[Si](C)(C)C)ccn2[Si](C(C)C)(C(C)C)C(C)C)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

7.012335

LogD (pH = 7.4)

7.0126953

Log P

7.0127

Molar Refractivity

105.268

Polarizability

46.407196

Polar Surface Area

17.82

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

5-Chloro-1-(triisopropylsilyl)-4-((trimethylsilyl) -ethynyl)-1H-pyrrolo[2,3-b]pyridine5-Chloro-1-(triisopropylsilyl)-4-((trimethylsilyl)ethynyl)-1H-pyrrolo[2,3-b]pyridine5-Chloro-1-(triisopropylsilyl)-4-((trimethylsilyl)ethynyl)-1H-pyrrolo[2,3-b]pyridine

IUPAC name

5-chloro-4-[2-(trimethylsilyl)ethynyl]-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine

IUPAC Traditional name

5-chloro-1-(triisopropylsilyl)-4-[2-(trimethylsilyl)ethynyl]pyrrolo[2,3-b]pyridine

Names and Identifiers

Registration numbers

PubChem CID

50986522

PubChem SID

162059264

MDL Number

MFCD18374133

Registration numbers

Properties

Safety Information

Storage Warning

IRRITANT

TSCA Listed

false

MSDS Link

Download link

Product Information

Empirical Formula (Hill Notation)

C21H33ClN2Si2

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

ADE001098

Other Notes
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Product of Adesis

Molecule Details

References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

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Calculated Properties