5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde

C14H19BrN2O2Si — CID 151223476

IUPAC5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESC[Si](C)(C)CCOCn1cc(C=O)c2cc(Br)cnc21
InChIInChI=1S/C14H19BrN2O2Si/c1-20(2,3)5-4-19-10-17-8-11(9-18)13-6-12(15)7-16-14(13)17/h6-9H,4-5,10H2,1-3H3
InChIKeyNMTYCZXLYMXQFG-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.92
Rot. Bonds6

About 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde

5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 151223476) has the molecular formula C14H19BrN2O2Si and a molecular weight of 355.31 g/mol. Its IUPAC name is 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID151223476
Molecular FormulaC14H19BrN2O2Si
Molecular Weight355.31 g/mol
Exact Mass354.04
IUPAC Name5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESC[Si](C)(C)CCOCn1cc(C=O)c2cc(Br)cnc21
InChIInChI=1S/C14H19BrN2O2Si/c1-20(2,3)5-4-19-10-17-8-11(9-18)13-6-12(15)7-16-14(13)17/h6-9H,4-5,10H2,1-3H3
InChIKeyNMTYCZXLYMXQFG-UHFFFAOYSA-N
XLogP3.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 151223476) is 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde is C[Si](C)(C)CCOCn1cc(C=O)c2cc(Br)cnc21.
What is the InChIKey of 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is NMTYCZXLYMXQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2Si/c1-20(2,3)5-4-19-10-17-8-11(9-18)13-6-12(15)7-16-14(13)17/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde?
5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 355.31 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 151223476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).