8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carbaldehyde

C9H8ClN3O — CID 22024515

IUPAC8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carbaldehyde
SMILESCCc1nc2c(Cl)nccn2c1C=O
InChIInChI=1S/C9H8ClN3O/c1-2-6-7(5-14)13-4-3-11-8(10)9(13)12-6/h3-5H,2H2,1H3
InChIKeyABSCTSTVCRSLSG-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.76
Rot. Bonds2

About 8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carbaldehyde

8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carbaldehyde (PubChem CID 22024515) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carbaldehyde.

Molecular Properties

Compound Name8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carbaldehyde
PubChem CID22024515
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carbaldehyde
SMILESCCc1nc2c(Cl)nccn2c1C=O
InChIInChI=1S/C9H8ClN3O/c1-2-6-7(5-14)13-4-3-11-8(10)9(13)12-6/h3-5H,2H2,1H3
InChIKeyABSCTSTVCRSLSG-UHFFFAOYSA-N
XLogP1.76
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carbaldehyde?
The IUPAC name of 8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carbaldehyde (CID 22024515) is 8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carbaldehyde.
What is the SMILES notation for 8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carbaldehyde?
The canonical SMILES for 8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carbaldehyde is CCc1nc2c(Cl)nccn2c1C=O.
What is the InChIKey of 8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carbaldehyde?
The InChIKey is ABSCTSTVCRSLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-2-6-7(5-14)13-4-3-11-8(10)9(13)12-6/h3-5H,2H2,1H3.
What are the key properties of 8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carbaldehyde?
8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carbaldehyde has a molecular weight of 209.64 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carbaldehyde is sourced from PubChem (CID 22024515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).