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

C8H5BrN2O — CID 24729605

IUPAC5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESO=Cc1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C8H5BrN2O/c9-6-1-7-5(4-12)2-10-8(7)11-3-6/h1-4H,(H,10,11)
InChIKeyYLZQPOVEHGBMFG-UHFFFAOYSA-N
MW225.05 g/mol
LogP2.14
Rot. Bonds1

About 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 24729605) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID24729605
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESO=Cc1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C8H5BrN2O/c9-6-1-7-5(4-12)2-10-8(7)11-3-6/h1-4H,(H,10,11)
InChIKeyYLZQPOVEHGBMFG-UHFFFAOYSA-N
XLogP2.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 5372812
1H-Pyrrolo[2,3-b]pyridine-4-carbaldehyde
CID 21963887
1H-Pyrrolo[2,3-b]pyridine-4-carboxamide
CID 23515094
1-(5-bromo-1H-pyrrolo(2,3-b)pyridin-3-yl)-2,2,2-trichloroethan-1-one
CID 67814401
1-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethan-1-one
CID 12778216
1-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde
CID 10441960
1H-pyrrolo(2,3-b)pyridine-3-carboxamide
CID 12646035
2-bromo-1-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethan-1-one
CID 13285356
5-Fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 18946738
5-Methyl-1H-pyrrolo(2,3-b)pyridine-3-carbaldehyde
CID 18946934
5-chloro-1H-pyrrolo(2,3-b)pyridine-3-carbaldehyde
CID 46856477
2-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 49759028

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 24729605) is 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde is O=Cc1c[nH]c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is YLZQPOVEHGBMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-6-1-7-5(4-12)2-10-8(7)11-3-6/h1-4H,(H,10,11).
What are the key properties of 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 225.05 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 24729605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).