3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine

C8H6ClI2N3 — CID 90065082

IUPAC3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine
SMILESClc1cnc2c(I)cn(CCI)c2n1
InChIInChI=1S/C8H6ClI2N3/c9-6-3-12-7-5(11)4-14(2-1-10)8(7)13-6/h3-4H,1-2H2
InChIKeyLOPKZLVSURQLJW-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.12
Rot. Bonds2

About 3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine

3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine (PubChem CID 90065082) has the molecular formula C8H6ClI2N3 and a molecular weight of 433.42 g/mol. Its IUPAC name is 3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine
PubChem CID90065082
Molecular FormulaC8H6ClI2N3
Molecular Weight433.42 g/mol
Exact Mass432.83
IUPAC Name3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine
SMILESClc1cnc2c(I)cn(CCI)c2n1
InChIInChI=1S/C8H6ClI2N3/c9-6-3-12-7-5(11)4-14(2-1-10)8(7)13-6/h3-4H,1-2H2
InChIKeyLOPKZLVSURQLJW-UHFFFAOYSA-N
XLogP3.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine 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 3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine?
The IUPAC name of 3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine (CID 90065082) is 3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine is Clc1cnc2c(I)cn(CCI)c2n1.
What is the InChIKey of 3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine?
The InChIKey is LOPKZLVSURQLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClI2N3/c9-6-3-12-7-5(11)4-14(2-1-10)8(7)13-6/h3-4H,1-2H2.
What are the key properties of 3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine?
3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine has a molecular weight of 433.42 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 90065082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).