2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetaldehyde

C18H8Cl3F3N4O3 — CID 46235001

About 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetaldehyde

2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetaldehyde (PubChem CID 46235001) has the molecular formula C18H8Cl3F3N4O3 and a molecular weight of 491.64 g/mol. Its IUPAC name is 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetaldehyde.

Molecular Properties

• Compound Name: 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetaldehyde
• PubChem CID: 46235001
• Molecular Formula: C18H8Cl3F3N4O3
• Molecular Weight: 491.64 g/mol
• Exact Mass: 489.96
• IUPAC Name: 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetaldehyde
• SMILES: O=CCOc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl
• InChI: InChI=1S/C18H8Cl3F3N4O3/c19-10-5-14(30-2-1-29)11(20)4-9(10)15-26-17(31-27-15)13-7-28-6-8(18(22,23)24)3-12(21)16(28)25-13/h1,3-7H,2H2
• InChIKey: KUGOYNCJGSCUIZ-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 82.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.64
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetaldehyde?

The IUPAC name of 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetaldehyde (CID 46235001) is 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetaldehyde.

What is the SMILES notation for 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetaldehyde?

The canonical SMILES for 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetaldehyde is O=CCOc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)n2)cc1Cl.

What is the InChIKey of 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetaldehyde?

The InChIKey is KUGOYNCJGSCUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl3F3N4O3/c19-10-5-14(30-2-1-29)11(20)4-9(10)15-26-17(31-27-15)13-7-28-6-8(18(22,23)24)3-12(21)16(28)25-13/h1,3-7H,2H2.

What are the key properties of 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetaldehyde?

2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetaldehyde has a molecular weight of 491.64 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetaldehyde is sourced from PubChem (CID 46235001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).