4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carbaldehyde

C13H11N3O2 — CID 24776789

IUPAC4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carbaldehyde
SMILESO=CN1CCc2[nH]c(-c3ccncc3)cc2C1=O
InChIInChI=1S/C13H11N3O2/c17-8-16-6-3-11-10(13(16)18)7-12(15-11)9-1-4-14-5-2-9/h1-2,4-5,7-8,15H,3,6H2
InChIKeyYZDLWDRGVXPOTM-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.23
Rot. Bonds2

About 4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carbaldehyde

4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carbaldehyde (PubChem CID 24776789) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carbaldehyde
PubChem CID24776789
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carbaldehyde
SMILESO=CN1CCc2[nH]c(-c3ccncc3)cc2C1=O
InChIInChI=1S/C13H11N3O2/c17-8-16-6-3-11-10(13(16)18)7-12(15-11)9-1-4-14-5-2-9/h1-2,4-5,7-8,15H,3,6H2
InChIKeyYZDLWDRGVXPOTM-UHFFFAOYSA-N
XLogP1.23
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
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 4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carbaldehyde?
The IUPAC name of 4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carbaldehyde (CID 24776789) is 4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carbaldehyde.
What is the SMILES notation for 4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carbaldehyde?
The canonical SMILES for 4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carbaldehyde is O=CN1CCc2[nH]c(-c3ccncc3)cc2C1=O.
What is the InChIKey of 4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carbaldehyde?
The InChIKey is YZDLWDRGVXPOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-8-16-6-3-11-10(13(16)18)7-12(15-11)9-1-4-14-5-2-9/h1-2,4-5,7-8,15H,3,6H2.
What are the key properties of 4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carbaldehyde?
4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carbaldehyde has a molecular weight of 241.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carbaldehyde is sourced from PubChem (CID 24776789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).