4-(6-bromoimidazo[1,2-a]pyridin-2-yl)benzaldehyde

C14H9BrN2O — CID 86631887

IUPAC4-(6-bromoimidazo[1,2-a]pyridin-2-yl)benzaldehyde
SMILESO=Cc1ccc(-c2cn3cc(Br)ccc3n2)cc1
InChIInChI=1S/C14H9BrN2O/c15-12-5-6-14-16-13(8-17(14)7-12)11-3-1-10(9-18)2-4-11/h1-9H
InChIKeyNWKKGLUFKLUKLH-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.58
Rot. Bonds2

About 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)benzaldehyde

4-(6-bromoimidazo[1,2-a]pyridin-2-yl)benzaldehyde (PubChem CID 86631887) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(6-bromoimidazo[1,2-a]pyridin-2-yl)benzaldehyde
PubChem CID86631887
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name4-(6-bromoimidazo[1,2-a]pyridin-2-yl)benzaldehyde
SMILESO=Cc1ccc(-c2cn3cc(Br)ccc3n2)cc1
InChIInChI=1S/C14H9BrN2O/c15-12-5-6-14-16-13(8-17(14)7-12)11-3-1-10(9-18)2-4-11/h1-9H
InChIKeyNWKKGLUFKLUKLH-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 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)benzaldehyde?
The IUPAC name of 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)benzaldehyde (CID 86631887) is 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)benzaldehyde.
What is the SMILES notation for 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)benzaldehyde?
The canonical SMILES for 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)benzaldehyde is O=Cc1ccc(-c2cn3cc(Br)ccc3n2)cc1.
What is the InChIKey of 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)benzaldehyde?
The InChIKey is NWKKGLUFKLUKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-12-5-6-14-16-13(8-17(14)7-12)11-3-1-10(9-18)2-4-11/h1-9H.
What are the key properties of 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)benzaldehyde?
4-(6-bromoimidazo[1,2-a]pyridin-2-yl)benzaldehyde 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 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)benzaldehyde is sourced from PubChem (CID 86631887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).