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

C14H19ClN2O2Si — CID 86676739

IUPAC4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESC[Si](C)(C)CCOCn1ccc2c(Cl)c(C=O)cnc21
InChIInChI=1S/C14H19ClN2O2Si/c1-20(2,3)7-6-19-10-17-5-4-12-13(15)11(9-18)8-16-14(12)17/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyDUDAYGHZXFYQRC-UHFFFAOYSA-N
MW310.86 g/mol
LogP3.81
Rot. Bonds6

About 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde

4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde (PubChem CID 86676739) has the molecular formula C14H19ClN2O2Si and a molecular weight of 310.86 g/mol. Its IUPAC name is 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
PubChem CID86676739
Molecular FormulaC14H19ClN2O2Si
Molecular Weight310.86 g/mol
Exact Mass310.09
IUPAC Name4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESC[Si](C)(C)CCOCn1ccc2c(Cl)c(C=O)cnc21
InChIInChI=1S/C14H19ClN2O2Si/c1-20(2,3)7-6-19-10-17-5-4-12-13(15)11(9-18)8-16-14(12)17/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyDUDAYGHZXFYQRC-UHFFFAOYSA-N
XLogP3.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.86
LogP ≤ 53.81
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 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The IUPAC name of 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde (CID 86676739) is 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The canonical SMILES for 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde is C[Si](C)(C)CCOCn1ccc2c(Cl)c(C=O)cnc21.
What is the InChIKey of 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The InChIKey is DUDAYGHZXFYQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2Si/c1-20(2,3)7-6-19-10-17-5-4-12-13(15)11(9-18)8-16-14(12)17/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde has a molecular weight of 310.86 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 86676739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).