2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde

C14H7Cl3N2O2 — CID 43477950

IUPAC2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(Oc2cc(Cl)c(Cl)cc2Cl)nc2ccccn12
InChIInChI=1S/C14H7Cl3N2O2/c15-8-5-10(17)12(6-9(8)16)21-14-11(7-20)19-4-2-1-3-13(19)18-14/h1-7H
InChIKeyABGDSPITBQGXCT-UHFFFAOYSA-N
MW341.58 g/mol
LogP4.90
Rot. Bonds3

About 2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde

2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 43477950) has the molecular formula C14H7Cl3N2O2 and a molecular weight of 341.58 g/mol. Its IUPAC name is 2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID43477950
Molecular FormulaC14H7Cl3N2O2
Molecular Weight341.58 g/mol
Exact Mass339.96
IUPAC Name2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(Oc2cc(Cl)c(Cl)cc2Cl)nc2ccccn12
InChIInChI=1S/C14H7Cl3N2O2/c15-8-5-10(17)12(6-9(8)16)21-14-11(7-20)19-4-2-1-3-13(19)18-14/h1-7H
InChIKeyABGDSPITBQGXCT-UHFFFAOYSA-N
XLogP4.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.58
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477975
2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477926
2-(4-propan-2-ylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477979
2-(3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43478005
2-(4-bromo-2-fluorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43478038
2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 104707934
2-(4-ethylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477988
2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 83140955
2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 62338465
2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 62548393
[2-(2,5-dichlorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478483
2-propan-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 76849577

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 43477950) is 2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde is O=Cc1c(Oc2cc(Cl)c(Cl)cc2Cl)nc2ccccn12.
What is the InChIKey of 2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is ABGDSPITBQGXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N2O2/c15-8-5-10(17)12(6-9(8)16)21-14-11(7-20)19-4-2-1-3-13(19)18-14/h1-7H.
What are the key properties of 2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 341.58 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 43477950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).