5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde

C13H8BrN3O — CID 118576983

IUPAC5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde
SMILESO=Cc1cc(-n2ccc3ccncc32)ncc1Br
InChIInChI=1S/C13H8BrN3O/c14-11-6-16-13(5-10(11)8-18)17-4-2-9-1-3-15-7-12(9)17/h1-8H
InChIKeyJXQXVCPBPBZETG-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.00
Rot. Bonds2

About 5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde

5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde (PubChem CID 118576983) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde
PubChem CID118576983
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde
SMILESO=Cc1cc(-n2ccc3ccncc32)ncc1Br
InChIInChI=1S/C13H8BrN3O/c14-11-6-16-13(5-10(11)8-18)17-4-2-9-1-3-15-7-12(9)17/h1-8H
InChIKeyJXQXVCPBPBZETG-UHFFFAOYSA-N
XLogP3.00
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde?
The IUPAC name of 5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde (CID 118576983) is 5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde.
What is the SMILES notation for 5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde?
The canonical SMILES for 5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde is O=Cc1cc(-n2ccc3ccncc32)ncc1Br.
What is the InChIKey of 5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde?
The InChIKey is JXQXVCPBPBZETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-11-6-16-13(5-10(11)8-18)17-4-2-9-1-3-15-7-12(9)17/h1-8H.
What are the key properties of 5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde?
5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde has a molecular weight of 302.13 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde is sourced from PubChem (CID 118576983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).