4-(6-formylimidazo[4,5-b]pyridin-3-yl)benzonitrile

C14H8N4O — CID 156810789

IUPAC4-(6-formylimidazo[4,5-b]pyridin-3-yl)benzonitrile
SMILESN#Cc1ccc(-n2cnc3cc(C=O)cnc32)cc1
InChIInChI=1S/C14H8N4O/c15-6-10-1-3-12(4-2-10)18-9-17-13-5-11(8-19)7-16-14(13)18/h1-5,7-9H
InChIKeyJXDJIWIPZCCPKO-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.10
Rot. Bonds2

About 4-(6-formylimidazo[4,5-b]pyridin-3-yl)benzonitrile

4-(6-formylimidazo[4,5-b]pyridin-3-yl)benzonitrile (PubChem CID 156810789) has the molecular formula C14H8N4O and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-(6-formylimidazo[4,5-b]pyridin-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(6-formylimidazo[4,5-b]pyridin-3-yl)benzonitrile
PubChem CID156810789
Molecular FormulaC14H8N4O
Molecular Weight248.25 g/mol
Exact Mass248.07
IUPAC Name4-(6-formylimidazo[4,5-b]pyridin-3-yl)benzonitrile
SMILESN#Cc1ccc(-n2cnc3cc(C=O)cnc32)cc1
InChIInChI=1S/C14H8N4O/c15-6-10-1-3-12(4-2-10)18-9-17-13-5-11(8-19)7-16-14(13)18/h1-5,7-9H
InChIKeyJXDJIWIPZCCPKO-UHFFFAOYSA-N
XLogP2.10
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-cyanophenyl)-5-formylpyrrolo[2,3-b]pyridin-2-yl]propanamide
CID 176661301
4-formylbenzonitrile;methane
CID 143070509
5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile
CID 163261106
4-(benzimidazol-1-yl)benzaldehyde
CID 737733
4,4-difluoro-1-methylpiperidine;4-[6-formyl-2-(5-hydroxy-5-methylhex-1-ynyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile
CID 177185571
4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile
CID 163260904
[4-(6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanamine
CID 141304295
3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid
CID 59815650
3-(5-formylpyrrolo[2,3-b]pyridin-1-yl)benzonitrile;1-methylpiperidine
CID 163260793
5-formylpyridine-3-carbonitrile
CID 12919806
3-(3,4-dimethylphenyl)benzimidazole-5-carbonitrile
CID 122422823
3,4-bis(benzimidazol-1-yl)benzonitrile
CID 122546288

Frequently Asked Questions

What is the IUPAC name of 4-(6-formylimidazo[4,5-b]pyridin-3-yl)benzonitrile?
The IUPAC name of 4-(6-formylimidazo[4,5-b]pyridin-3-yl)benzonitrile (CID 156810789) is 4-(6-formylimidazo[4,5-b]pyridin-3-yl)benzonitrile.
What is the SMILES notation for 4-(6-formylimidazo[4,5-b]pyridin-3-yl)benzonitrile?
The canonical SMILES for 4-(6-formylimidazo[4,5-b]pyridin-3-yl)benzonitrile is N#Cc1ccc(-n2cnc3cc(C=O)cnc32)cc1.
What is the InChIKey of 4-(6-formylimidazo[4,5-b]pyridin-3-yl)benzonitrile?
The InChIKey is JXDJIWIPZCCPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O/c15-6-10-1-3-12(4-2-10)18-9-17-13-5-11(8-19)7-16-14(13)18/h1-5,7-9H.
What are the key properties of 4-(6-formylimidazo[4,5-b]pyridin-3-yl)benzonitrile?
4-(6-formylimidazo[4,5-b]pyridin-3-yl)benzonitrile has a molecular weight of 248.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-formylimidazo[4,5-b]pyridin-3-yl)benzonitrile is sourced from PubChem (CID 156810789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).