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

C14H9BrN2O2 — CID 43477926

IUPAC2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(Oc2ccccc2Br)nc2ccccn12
InChIInChI=1S/C14H9BrN2O2/c15-10-5-1-2-6-12(10)19-14-11(9-18)17-8-4-3-7-13(17)16-14/h1-9H
InChIKeyUSBONDWQAZIRNS-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.70
Rot. Bonds3

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

2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 43477926) has the molecular formula C14H9BrN2O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is 2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID43477926
Molecular FormulaC14H9BrN2O2
Molecular Weight317.14 g/mol
Exact Mass315.98
IUPAC Name2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(Oc2ccccc2Br)nc2ccccn12
InChIInChI=1S/C14H9BrN2O2/c15-10-5-1-2-6-12(10)19-14-11(9-18)17-8-4-3-7-13(17)16-14/h1-9H
InChIKeyUSBONDWQAZIRNS-UHFFFAOYSA-N
XLogP3.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-methoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 104707934
2-(4-bromo-2-fluorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43478038
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-(2,5-dichlorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477975
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-(3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43478005
2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 62548393
2-(3-ethoxyphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 62338465
2-propan-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 76849577
[2-(2-bromo-4-fluorophenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478652

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 43477926) is 2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde is O=Cc1c(Oc2ccccc2Br)nc2ccccn12.
What is the InChIKey of 2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is USBONDWQAZIRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2/c15-10-5-1-2-6-12(10)19-14-11(9-18)17-8-4-3-7-13(17)16-14/h1-9H.
What are the key properties of 2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 317.14 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 43477926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).