2-chloroimidazo[1,2-a]pyridine-3-carbaldehyde

C8H5ClN2O — CID 2064134

IUPAC2-chloroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(Cl)nc2ccccn12
InChIInChI=1S/C8H5ClN2O/c9-8-6(5-12)11-4-2-1-3-7(11)10-8/h1-5H
InChIKeyFVRORAWYCXIWSN-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.80
Rot. Bonds1

About 2-chloroimidazo[1,2-a]pyridine-3-carbaldehyde

2-chloroimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 2064134) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 2-chloroimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloroimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID2064134
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name2-chloroimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(Cl)nc2ccccn12
InChIInChI=1S/C8H5ClN2O/c9-8-6(5-12)11-4-2-1-3-7(11)10-8/h1-5H
InChIKeyFVRORAWYCXIWSN-UHFFFAOYSA-N
XLogP1.80
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Chloroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2360195
2-Chloromethyl-imidazo(1,2-A)pyridine
CID 957614
1-{2-Methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one
CID 2735255
(2-Chloroimidazo[1,2-a]pyridin-3-yl)methanol
CID 4678178
2-Methylimidazo(1,2-a)pyridine-3-carboxaldehyde
CID 2759859
6-Chloro-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 842186
N,N-diethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 1488742
2-chloro-N-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 2348701
N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46882706
1-(6-Chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 3760271
Imidazo(1,2-a)pyridine-3-carboxamide
CID 80322
Imidazo(1,2-a)pyridine-3-carboxamide, 2-methyl-
CID 89061

Frequently Asked Questions

What is the IUPAC name of 2-chloroimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-chloroimidazo[1,2-a]pyridine-3-carbaldehyde (CID 2064134) is 2-chloroimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloroimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloroimidazo[1,2-a]pyridine-3-carbaldehyde is O=Cc1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloroimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is FVRORAWYCXIWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-8-6(5-12)11-4-2-1-3-7(11)10-8/h1-5H.
What are the key properties of 2-chloroimidazo[1,2-a]pyridine-3-carbaldehyde?
2-chloroimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 180.59 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 2064134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).