3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane

C11H13BrN2O2 — CID 177187823

IUPAC3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane
SMILESCCOC.O=Cc1[nH]c2ncccc2c1Br
InChIInChI=1S/C8H5BrN2O.C3H8O/c9-7-5-2-1-3-10-8(5)11-6(7)4-12;1-3-4-2/h1-4H,(H,10,11);3H2,1-2H3
InChIKeyTUKIIUJDFLGAND-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.79
Rot. Bonds2

About 3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane

3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane (PubChem CID 177187823) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane.

Molecular Properties

Compound Name3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane
PubChem CID177187823
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane
SMILESCCOC.O=Cc1[nH]c2ncccc2c1Br
InChIInChI=1S/C8H5BrN2O.C3H8O/c9-7-5-2-1-3-10-8(5)11-6(7)4-12;1-3-4-2/h1-4H,(H,10,11);3H2,1-2H3
InChIKeyTUKIIUJDFLGAND-UHFFFAOYSA-N
XLogP2.79
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 91100432
methoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 170754494
2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84661488
3-cyano-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 159053645
2-methyl-1H-1,8-naphthyridin-4-one;propane
CID 142119860
2-ethenyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 167028664
3-methoxy-4-methyl-1H-1,8-naphthyridin-2-one
CID 68612137
ethyl 2-oxo-1H-1,8-naphthyridine-4-carboxylate
CID 76849396
ethyl 9H-pyrido[2,3-b]indole-8-carboxylate
CID 135002978
ethyl 8-methoxy-9H-pyrido[2,3-b]indole-6-carboxylate
CID 135059817
3-bromo-2-(3-pyridin-4-ylpropyl)-1H-pyrrolo[2,3-b]pyridine
CID 58086150
2,3-di(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine;formamide
CID 175557195

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane?
The IUPAC name of 3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane (CID 177187823) is 3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane.
What is the SMILES notation for 3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane?
The canonical SMILES for 3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane is CCOC.O=Cc1[nH]c2ncccc2c1Br.
What is the InChIKey of 3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane?
The InChIKey is TUKIIUJDFLGAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O.C3H8O/c9-7-5-2-1-3-10-8(5)11-6(7)4-12;1-3-4-2/h1-4H,(H,10,11);3H2,1-2H3.
What are the key properties of 3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane?
3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane has a molecular weight of 285.14 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane is sourced from PubChem (CID 177187823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).