2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde

C15H11BrN2O3 — CID 104707934

IUPAC2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCOc1ccc(Oc2nc3ccccn3c2C=O)c(Br)c1
InChIInChI=1S/C15H11BrN2O3/c1-20-10-5-6-13(11(16)8-10)21-15-12(9-19)18-7-3-2-4-14(18)17-15/h2-9H,1H3
InChIKeyRUMRDUOTMNGFKU-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.71
Rot. Bonds4

About 2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde

2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 104707934) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID104707934
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCOc1ccc(Oc2nc3ccccn3c2C=O)c(Br)c1
InChIInChI=1S/C15H11BrN2O3/c1-20-10-5-6-13(11(16)8-10)21-15-12(9-19)18-7-3-2-4-14(18)17-15/h2-9H,1H3
InChIKeyRUMRDUOTMNGFKU-UHFFFAOYSA-N
XLogP3.71
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.71
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-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477926
2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 83140955
2-(4-bromo-2-fluorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43478038
2-(2,4,5-trichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477950
2-(3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43478005
2-(4-ethylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477988
2-(4-propan-2-ylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477979
2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 62548393
2-(2,5-dichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477975
2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 62338465
[2-(2-bromo-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478652
2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline
CID 104707668

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 104707934) is 2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde is COc1ccc(Oc2nc3ccccn3c2C=O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is RUMRDUOTMNGFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c1-20-10-5-6-13(11(16)8-10)21-15-12(9-19)18-7-3-2-4-14(18)17-15/h2-9H,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 347.17 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 104707934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).