2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde

C9H7ClN2O — CID 82529691

IUPAC2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1cccn2c(C=O)c(Cl)nc12
InChIInChI=1S/C9H7ClN2O/c1-6-3-2-4-12-7(5-13)8(10)11-9(6)12/h2-5H,1H3
InChIKeyWUDKQZDLKVOOAD-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.11
Rot. Bonds1

About 2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde

2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 82529691) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID82529691
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1cccn2c(C=O)c(Cl)nc12
InChIInChI=1S/C9H7ClN2O/c1-6-3-2-4-12-7(5-13)8(10)11-9(6)12/h2-5H,1H3
InChIKeyWUDKQZDLKVOOAD-UHFFFAOYSA-N
XLogP2.11
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.11
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-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 82529691) is 2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde is Cc1cccn2c(C=O)c(Cl)nc12.
What is the InChIKey of 2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is WUDKQZDLKVOOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-6-3-2-4-12-7(5-13)8(10)11-9(6)12/h2-5H,1H3.
What are the key properties of 2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 194.62 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 82529691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).