2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde

C14H9BrN2O — CID 84739483

IUPAC2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(-c3ccccc3Br)cn2c1
InChIInChI=1S/C14H9BrN2O/c15-12-4-2-1-3-11(12)13-8-17-7-10(9-18)5-6-14(17)16-13/h1-9H
InChIKeyFMKQCANASYFURC-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.58
Rot. Bonds2

About 2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde

2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde (PubChem CID 84739483) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde
PubChem CID84739483
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(-c3ccccc3Br)cn2c1
InChIInChI=1S/C14H9BrN2O/c15-12-4-2-1-3-11(12)13-8-17-7-10(9-18)5-6-14(17)16-13/h1-9H
InChIKeyFMKQCANASYFURC-UHFFFAOYSA-N
XLogP3.58
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde (CID 84739483) is 2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde is O=Cc1ccc2nc(-c3ccccc3Br)cn2c1.
What is the InChIKey of 2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde?
The InChIKey is FMKQCANASYFURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-12-4-2-1-3-11(12)13-8-17-7-10(9-18)5-6-14(17)16-13/h1-9H.
What are the key properties of 2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde?
2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde has a molecular weight of 301.14 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 84739483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).