1-chloropyrrolo[1,2-a]pyrazine-6-carbaldehyde

C8H5ClN2O — CID 105439130

IUPAC1-chloropyrrolo[1,2-a]pyrazine-6-carbaldehyde
SMILESO=Cc1ccc2c(Cl)nccn12
InChIInChI=1S/C8H5ClN2O/c9-8-7-2-1-6(5-12)11(7)4-3-10-8/h1-5H
InChIKeyGYPJGXMCUUWLPZ-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.80
Rot. Bonds1

About 1-chloropyrrolo[1,2-a]pyrazine-6-carbaldehyde

1-chloropyrrolo[1,2-a]pyrazine-6-carbaldehyde (PubChem CID 105439130) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 1-chloropyrrolo[1,2-a]pyrazine-6-carbaldehyde.

Molecular Properties

Compound Name1-chloropyrrolo[1,2-a]pyrazine-6-carbaldehyde
PubChem CID105439130
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name1-chloropyrrolo[1,2-a]pyrazine-6-carbaldehyde
SMILESO=Cc1ccc2c(Cl)nccn12
InChIInChI=1S/C8H5ClN2O/c9-8-7-2-1-6(5-12)11(7)4-3-10-8/h1-5H
InChIKeyGYPJGXMCUUWLPZ-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'}

Analyze 1-chloropyrrolo[1,2-a]pyrazine-6-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloropyrrolo[1,2-a]pyrazine-6-carbaldehyde?
The IUPAC name of 1-chloropyrrolo[1,2-a]pyrazine-6-carbaldehyde (CID 105439130) is 1-chloropyrrolo[1,2-a]pyrazine-6-carbaldehyde.
What is the SMILES notation for 1-chloropyrrolo[1,2-a]pyrazine-6-carbaldehyde?
The canonical SMILES for 1-chloropyrrolo[1,2-a]pyrazine-6-carbaldehyde is O=Cc1ccc2c(Cl)nccn12.
What is the InChIKey of 1-chloropyrrolo[1,2-a]pyrazine-6-carbaldehyde?
The InChIKey is GYPJGXMCUUWLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-8-7-2-1-6(5-12)11(7)4-3-10-8/h1-5H.
What are the key properties of 1-chloropyrrolo[1,2-a]pyrazine-6-carbaldehyde?
1-chloropyrrolo[1,2-a]pyrazine-6-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-chloropyrrolo[1,2-a]pyrazine-6-carbaldehyde is sourced from PubChem (CID 105439130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).