2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde

C9H7BrN2O — CID 117223786

IUPAC2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde
SMILESO=CCn1ccc2cc(Br)cnc21
InChIInChI=1S/C9H7BrN2O/c10-8-5-7-1-2-12(3-4-13)9(7)11-6-8/h1-2,4-6H,3H2
InChIKeyVXBRJXXXRWXOCU-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.00
Rot. Bonds2

About 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde

2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde (PubChem CID 117223786) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde
PubChem CID117223786
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde
SMILESO=CCn1ccc2cc(Br)cnc21
InChIInChI=1S/C9H7BrN2O/c10-8-5-7-1-2-12(3-4-13)9(7)11-6-8/h1-2,4-6H,3H2
InChIKeyVXBRJXXXRWXOCU-UHFFFAOYSA-N
XLogP2.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde?
The IUPAC name of 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde (CID 117223786) is 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde?
The canonical SMILES for 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde is O=CCn1ccc2cc(Br)cnc21.
What is the InChIKey of 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde?
The InChIKey is VXBRJXXXRWXOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-8-5-7-1-2-12(3-4-13)9(7)11-6-8/h1-2,4-6H,3H2.
What are the key properties of 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde?
2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde has a molecular weight of 239.07 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)acetaldehyde is sourced from PubChem (CID 117223786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).