2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde

C16H14N2O3 — CID 62338465

IUPAC2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCOc1cccc(Oc2nc3ccccn3c2C=O)c1
InChIInChI=1S/C16H14N2O3/c1-2-20-12-6-5-7-13(10-12)21-16-14(11-19)18-9-4-3-8-15(18)17-16/h3-11H,2H2,1H3
InChIKeyGWXUNYVNBFUOHK-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.34
Rot. Bonds5

About 2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde

2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 62338465) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID62338465
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCOc1cccc(Oc2nc3ccccn3c2C=O)c1
InChIInChI=1S/C16H14N2O3/c1-2-20-12-6-5-7-13(10-12)21-16-14(11-19)18-9-4-3-8-15(18)17-16/h3-11H,2H2,1H3
InChIKeyGWXUNYVNBFUOHK-UHFFFAOYSA-N
XLogP3.34
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.34
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

2-(3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43478005
2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 62548393
2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 83140955
2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477950
2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477926
2-(2,5-dichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477975
2-(4-bromo-2-fluorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43478038
[2-(3-methoxyphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478666
1-[2-(3-methoxyphenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 43478665
3-(3-ethoxyphenoxy)quinoxalin-2-amine
CID 102988134
2-[(4-ethylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82223320
N-methyl-1-[2-(3-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478688

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 62338465) is 2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde is CCOc1cccc(Oc2nc3ccccn3c2C=O)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is GWXUNYVNBFUOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-20-12-6-5-7-13(10-12)21-16-14(11-19)18-9-4-3-8-15(18)17-16/h3-11H,2H2,1H3.
What are the key properties of 2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 282.30 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 62338465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).