2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile

C15H19N3O3Si — CID 172608767

IUPAC2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile
SMILESC[Si](C)(C)CCOCn1c(C=O)cc2c(C#N)c[nH]c(=O)c21
InChIInChI=1S/C15H19N3O3Si/c1-22(2,3)5-4-21-10-18-12(9-19)6-13-11(7-16)8-17-15(20)14(13)18/h6,8-9H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyMKKBPQADAWYVQV-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.33
Rot. Bonds6

About 2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile

2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile (PubChem CID 172608767) has the molecular formula C15H19N3O3Si and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile
PubChem CID172608767
Molecular FormulaC15H19N3O3Si
Molecular Weight317.42 g/mol
Exact Mass317.12
IUPAC Name2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile
SMILESC[Si](C)(C)CCOCn1c(C=O)cc2c(C#N)c[nH]c(=O)c21
InChIInChI=1S/C15H19N3O3Si/c1-22(2,3)5-4-21-10-18-12(9-19)6-13-11(7-16)8-17-15(20)14(13)18/h6,8-9H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyMKKBPQADAWYVQV-UHFFFAOYSA-N
XLogP2.33
TPSA87.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde
CID 174175818
4-cyclopropyl-2-[[[(1S,2R)-2-hydroxycyclopentyl]amino]methyl]-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridin-7-one
CID 176724206
4-chloro-2-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 171614713
3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile
CID 172806040
1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde
CID 164719027
1-(methoxymethyl)-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile
CID 170736843
6-(2,2-difluoroethoxy)-2-formyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
CID 160588815
2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
CID 23137328
5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione
CID 67594826
1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde
CID 140830721
6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione
CID 18753664
7-chloro-6-nitro-4-oxo-8-(2-trimethylsilylethoxymethyl)-1H-quinoline-3-carbonitrile
CID 70114860

Frequently Asked Questions

What is the IUPAC name of 2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
The IUPAC name of 2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile (CID 172608767) is 2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile.
What is the SMILES notation for 2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
The canonical SMILES for 2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile is C[Si](C)(C)CCOCn1c(C=O)cc2c(C#N)c[nH]c(=O)c21.
What is the InChIKey of 2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
The InChIKey is MKKBPQADAWYVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3Si/c1-22(2,3)5-4-21-10-18-12(9-19)6-13-11(7-16)8-17-15(20)14(13)18/h6,8-9H,4-5,10H2,1-3H3,(H,17,20).
What are the key properties of 2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile?
2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile has a molecular weight of 317.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-7-oxo-1-(2-trimethylsilylethoxymethyl)-6H-pyrrolo[2,3-c]pyridine-4-carbonitrile is sourced from PubChem (CID 172608767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).