5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one

C13H19BrN2O2Si — CID 66779522

IUPAC5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESC[Si](C)(C)CCOCN1C(=O)Cc2cc(Br)cnc21
InChIInChI=1S/C13H19BrN2O2Si/c1-19(2,3)5-4-18-9-16-12(17)7-10-6-11(14)8-15-13(10)16/h6,8H,4-5,7,9H2,1-3H3
InChIKeyCPRJNAUANBWOEN-UHFFFAOYSA-N
MW343.30 g/mol
LogP3.05
Rot. Bonds5

About 5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one

5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 66779522) has the molecular formula C13H19BrN2O2Si and a molecular weight of 343.30 g/mol. Its IUPAC name is 5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID66779522
Molecular FormulaC13H19BrN2O2Si
Molecular Weight343.30 g/mol
Exact Mass342.04
IUPAC Name5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESC[Si](C)(C)CCOCN1C(=O)Cc2cc(Br)cnc21
InChIInChI=1S/C13H19BrN2O2Si/c1-19(2,3)5-4-18-9-16-12(17)7-10-6-11(14)8-15-13(10)16/h6,8H,4-5,7,9H2,1-3H3
InChIKeyCPRJNAUANBWOEN-UHFFFAOYSA-N
XLogP3.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(propoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
CID 146594866
2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 71562636
7-iodo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-one
CID 131742323
2-[(5-bromo-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 59297026
2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde
CID 171465871
2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 15471535
5-bromo-4-chloro-3,3-bis(prop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one
CID 156771651
2-[(5-bromo-3-ethenylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 171465843
5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one
CID 86675486
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 159477768
CID 157444235
CID 157444235

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one (CID 66779522) is 5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one is C[Si](C)(C)CCOCN1C(=O)Cc2cc(Br)cnc21.
What is the InChIKey of 5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is CPRJNAUANBWOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2Si/c1-19(2,3)5-4-18-9-16-12(17)7-10-6-11(14)8-15-13(10)16/h6,8H,4-5,7,9H2,1-3H3.
What are the key properties of 5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one?
5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 343.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 66779522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).