2-bromo-7-iodo-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine

C13H9BrIN3 — CID 169258234

IUPAC2-bromo-7-iodo-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine
SMILESCc1ccc(-n2cc(I)c3nc(Br)cnc32)cc1
InChIInChI=1S/C13H9BrIN3/c1-8-2-4-9(5-3-8)18-7-10(15)12-13(18)16-6-11(14)17-12/h2-7H,1H3
InChIKeyBNWFXCIUSKNEAK-UHFFFAOYSA-N
MW414.04 g/mol
LogP4.10
Rot. Bonds1

About 2-bromo-7-iodo-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine

2-bromo-7-iodo-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine (PubChem CID 169258234) has the molecular formula C13H9BrIN3 and a molecular weight of 414.04 g/mol. Its IUPAC name is 2-bromo-7-iodo-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-bromo-7-iodo-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine
PubChem CID169258234
Molecular FormulaC13H9BrIN3
Molecular Weight414.04 g/mol
Exact Mass412.90
IUPAC Name2-bromo-7-iodo-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine
SMILESCc1ccc(-n2cc(I)c3nc(Br)cnc32)cc1
InChIInChI=1S/C13H9BrIN3/c1-8-2-4-9(5-3-8)18-7-10(15)12-13(18)16-6-11(14)17-12/h2-7H,1H3
InChIKeyBNWFXCIUSKNEAK-UHFFFAOYSA-N
XLogP4.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.04
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-7-iodo-5-(4-methylphenyl)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 2-bromo-7-iodo-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-bromo-7-iodo-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine (CID 169258234) is 2-bromo-7-iodo-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-bromo-7-iodo-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-bromo-7-iodo-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine is Cc1ccc(-n2cc(I)c3nc(Br)cnc32)cc1.
What is the InChIKey of 2-bromo-7-iodo-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine?
The InChIKey is BNWFXCIUSKNEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrIN3/c1-8-2-4-9(5-3-8)18-7-10(15)12-13(18)16-6-11(14)17-12/h2-7H,1H3.
What are the key properties of 2-bromo-7-iodo-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine?
2-bromo-7-iodo-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine has a molecular weight of 414.04 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-iodo-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 169258234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).