5-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carbaldehyde

C18H11IN2O2 — CID 169335680

IUPAC5-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(-c3cn4cc(I)ccc4n3)c2)o1
InChIInChI=1S/C18H11IN2O2/c19-14-4-7-18-20-16(10-21(18)9-14)12-2-1-3-13(8-12)17-6-5-15(11-22)23-17/h1-11H
InChIKeyHJLJJBBVWZSDDA-UHFFFAOYSA-N
MW414.20 g/mol
LogP4.68
Rot. Bonds3

About 5-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carbaldehyde

5-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carbaldehyde (PubChem CID 169335680) has the molecular formula C18H11IN2O2 and a molecular weight of 414.20 g/mol. Its IUPAC name is 5-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carbaldehyde
PubChem CID169335680
Molecular FormulaC18H11IN2O2
Molecular Weight414.20 g/mol
Exact Mass413.99
IUPAC Name5-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(-c3cn4cc(I)ccc4n3)c2)o1
InChIInChI=1S/C18H11IN2O2/c19-14-4-7-18-20-16(10-21(18)9-14)12-2-1-3-13(8-12)17-6-5-15(11-22)23-17/h1-11H
InChIKeyHJLJJBBVWZSDDA-UHFFFAOYSA-N
XLogP4.68
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.20
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-2-pyridin-3-ylimidazo[1,2-a]pyridine
CID 169323354
5-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]furan-2-carbaldehyde
CID 169335117
5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carbaldehyde
CID 169335271
6-chloro-2-[3-(5-formylfuran-2-yl)phenyl]quinoline-4-carboxylic acid
CID 169334493
3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole
CID 16738345
5-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]furan-2-carbaldehyde
CID 169332740
1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol
CID 168640406
5-[3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carbaldehyde
CID 169334414
1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione
CID 168557338
5-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carbaldehyde
CID 169334844
[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]hydrazine
CID 23106734
5-[3-(4-methylsulfanylphenyl)phenyl]furan-2-carbaldehyde
CID 169332998

Frequently Asked Questions

What is the IUPAC name of 5-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carbaldehyde (CID 169335680) is 5-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cccc(-c3cn4cc(I)ccc4n3)c2)o1.
What is the InChIKey of 5-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carbaldehyde?
The InChIKey is HJLJJBBVWZSDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11IN2O2/c19-14-4-7-18-20-16(10-21(18)9-14)12-2-1-3-13(8-12)17-6-5-15(11-22)23-17/h1-11H.
What are the key properties of 5-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carbaldehyde?
5-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carbaldehyde has a molecular weight of 414.20 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169335680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).