2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

C13H9N3O — CID 175660865

IUPAC2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2ccccn2)[nH]c2ncccc12
InChIInChI=1S/C13H9N3O/c17-8-10-9-4-3-7-15-13(9)16-12(10)11-5-1-2-6-14-11/h1-8H,(H,15,16)
InChIKeyIOCQVMGHYYHXFH-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.44
Rot. Bonds2

About 2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 175660865) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID175660865
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2ccccn2)[nH]c2ncccc12
InChIInChI=1S/C13H9N3O/c17-8-10-9-4-3-7-15-13(9)16-12(10)11-5-1-2-6-14-11/h1-8H,(H,15,16)
InChIKeyIOCQVMGHYYHXFH-UHFFFAOYSA-N
XLogP2.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.44
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

2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84699413
2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84661488
4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde
CID 4637543
2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84680375
2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 2771714
5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde
CID 87124357
2,6-dichloro-4-pyridin-2-ylbenzaldehyde
CID 135290721
5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one
CID 55265010
6-(2-pyridin-2-ylphenyl)-9H-pyrido[2,3-b]indole
CID 163984381
4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde
CID 79078535
9H-pyrido[2,3-b]indole;2H-triazole
CID 67361735
2-(4-pyrazin-2-yl-2,5-dipyridin-2-yl-1H-pyrrol-3-yl)pyrazine
CID 10499814

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 175660865) is 2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde is O=Cc1c(-c2ccccn2)[nH]c2ncccc12.
What is the InChIKey of 2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is IOCQVMGHYYHXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-8-10-9-4-3-7-15-13(9)16-12(10)11-5-1-2-6-14-11/h1-8H,(H,15,16).
What are the key properties of 2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 223.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 175660865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).