3-phenylimidazo[4,5-b]pyridine-5-carbaldehyde

C13H9N3O — CID 11715549

IUPAC3-phenylimidazo[4,5-b]pyridine-5-carbaldehyde
SMILESO=Cc1ccc2ncn(-c3ccccc3)c2n1
InChIInChI=1S/C13H9N3O/c17-8-10-6-7-12-13(15-10)16(9-14-12)11-4-2-1-3-5-11/h1-9H
InChIKeyCPOKTTMMRZEVGL-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.23
Rot. Bonds2

About 3-phenylimidazo[4,5-b]pyridine-5-carbaldehyde

3-phenylimidazo[4,5-b]pyridine-5-carbaldehyde (PubChem CID 11715549) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-phenylimidazo[4,5-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name3-phenylimidazo[4,5-b]pyridine-5-carbaldehyde
PubChem CID11715549
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name3-phenylimidazo[4,5-b]pyridine-5-carbaldehyde
SMILESO=Cc1ccc2ncn(-c3ccccc3)c2n1
InChIInChI=1S/C13H9N3O/c17-8-10-6-7-12-13(15-10)16(9-14-12)11-4-2-1-3-5-11/h1-9H
InChIKeyCPOKTTMMRZEVGL-UHFFFAOYSA-N
XLogP2.23
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.23
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 3-phenylimidazo[4,5-b]pyridine-5-carbaldehyde?
The IUPAC name of 3-phenylimidazo[4,5-b]pyridine-5-carbaldehyde (CID 11715549) is 3-phenylimidazo[4,5-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 3-phenylimidazo[4,5-b]pyridine-5-carbaldehyde?
The canonical SMILES for 3-phenylimidazo[4,5-b]pyridine-5-carbaldehyde is O=Cc1ccc2ncn(-c3ccccc3)c2n1.
What is the InChIKey of 3-phenylimidazo[4,5-b]pyridine-5-carbaldehyde?
The InChIKey is CPOKTTMMRZEVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-8-10-6-7-12-13(15-10)16(9-14-12)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 3-phenylimidazo[4,5-b]pyridine-5-carbaldehyde?
3-phenylimidazo[4,5-b]pyridine-5-carbaldehyde has a molecular weight of 223.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylimidazo[4,5-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 11715549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).