2-chloro-5-methylpyrrolo[2,3-b]pyrazine

C7H6ClN3 — CID 118988246

IUPAC2-chloro-5-methylpyrrolo[2,3-b]pyrazine
SMILESCn1ccc2nc(Cl)cnc21
InChIInChI=1S/C7H6ClN3/c1-11-3-2-5-7(11)9-4-6(8)10-5/h2-4H,1H3
InChIKeyBZHPFZVBXUJDJE-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.62
Rot. Bonds

About 2-chloro-5-methylpyrrolo[2,3-b]pyrazine

2-chloro-5-methylpyrrolo[2,3-b]pyrazine (PubChem CID 118988246) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 2-chloro-5-methylpyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-chloro-5-methylpyrrolo[2,3-b]pyrazine
PubChem CID118988246
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name2-chloro-5-methylpyrrolo[2,3-b]pyrazine
SMILESCn1ccc2nc(Cl)cnc21
InChIInChI=1S/C7H6ClN3/c1-11-3-2-5-7(11)9-4-6(8)10-5/h2-4H,1H3
InChIKeyBZHPFZVBXUJDJE-UHFFFAOYSA-N
XLogP1.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-methylpyrrolo[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 2-chloro-5-methylpyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-chloro-5-methylpyrrolo[2,3-b]pyrazine (CID 118988246) is 2-chloro-5-methylpyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-chloro-5-methylpyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-chloro-5-methylpyrrolo[2,3-b]pyrazine is Cn1ccc2nc(Cl)cnc21.
What is the InChIKey of 2-chloro-5-methylpyrrolo[2,3-b]pyrazine?
The InChIKey is BZHPFZVBXUJDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-11-3-2-5-7(11)9-4-6(8)10-5/h2-4H,1H3.
What are the key properties of 2-chloro-5-methylpyrrolo[2,3-b]pyrazine?
2-chloro-5-methylpyrrolo[2,3-b]pyrazine has a molecular weight of 167.60 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylpyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 118988246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).