1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde

C8H5ClN2O — CID 83875633

IUPAC1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2c(Cl)ncn12
InChIInChI=1S/C8H5ClN2O/c9-8-7-3-1-2-6(4-12)11(7)5-10-8/h1-5H
InChIKeyOVYHZOCOCZIMBV-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.80
Rot. Bonds1

About 1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde

1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde (PubChem CID 83875633) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde
PubChem CID83875633
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2c(Cl)ncn12
InChIInChI=1S/C8H5ClN2O/c9-8-7-3-1-2-6(4-12)11(7)5-10-8/h1-5H
InChIKeyOVYHZOCOCZIMBV-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

3-methyltriazolo[1,5-a]pyridine-7-carbaldehyde
CID 10374726
2-propan-2-ylimidazo[1,2-a]pyridine-5-carbaldehyde
CID 82405072
2-(1-bromoimidazo[1,5-a]pyridin-5-yl)acetaldehyde
CID 83898374
(5-chloroimidazo[1,5-a]pyridin-1-yl)methanamine
CID 83869470
8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde
CID 58449869
pyrazolo[1,5-a]pyridine-7-carbaldehyde
CID 10866474
imidazo[1,2-d][1,2,4]oxadiazole-5-carbaldehyde
CID 92798739
3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141103
2-(3-chloroindazol-1-yl)acetaldehyde
CID 89325670
4-chloro-2-methylpyrrolo[1,2-b]pyridazine-7-carbaldehyde;methoxymethane
CID 171568575
2-benzylimidazo[1,2-a]pyridine-5-carbaldehyde
CID 117132555
3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141138

Frequently Asked Questions

What is the IUPAC name of 1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde?
The IUPAC name of 1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde (CID 83875633) is 1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde?
The canonical SMILES for 1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde is O=Cc1cccc2c(Cl)ncn12.
What is the InChIKey of 1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde?
The InChIKey is OVYHZOCOCZIMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-8-7-3-1-2-6(4-12)11(7)5-10-8/h1-5H.
What are the key properties of 1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde?
1-chloroimidazo[1,5-a]pyridine-5-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 1-chloroimidazo[1,5-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 83875633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).