6-bromo-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde

C9H7BrN2O — CID 83526560

IUPAC6-bromo-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde
SMILESCc1cn2cc(Br)cc(C=O)c2n1
InChIInChI=1S/C9H7BrN2O/c1-6-3-12-4-8(10)2-7(5-13)9(12)11-6/h2-5H,1H3
InChIKeySFFFHLBSLDBOOP-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.22
Rot. Bonds1

About 6-bromo-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde

6-bromo-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde (PubChem CID 83526560) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 6-bromo-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name6-bromo-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde
PubChem CID83526560
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name6-bromo-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde
SMILESCc1cn2cc(Br)cc(C=O)c2n1
InChIInChI=1S/C9H7BrN2O/c1-6-3-12-4-8(10)2-7(5-13)9(12)11-6/h2-5H,1H3
InChIKeySFFFHLBSLDBOOP-UHFFFAOYSA-N
XLogP2.22
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.22
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 6-bromo-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde?
The IUPAC name of 6-bromo-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde (CID 83526560) is 6-bromo-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 6-bromo-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde?
The canonical SMILES for 6-bromo-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde is Cc1cn2cc(Br)cc(C=O)c2n1.
What is the InChIKey of 6-bromo-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde?
The InChIKey is SFFFHLBSLDBOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-6-3-12-4-8(10)2-7(5-13)9(12)11-6/h2-5H,1H3.
What are the key properties of 6-bromo-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde?
6-bromo-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde has a molecular weight of 239.07 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methylimidazo[1,2-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 83526560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).