3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid

C5H3BrIN3O2 — CID 156743414

IUPAC3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid
SMILESNc1nc(I)c(Br)nc1C(=O)O
InChIInChI=1S/C5H3BrIN3O2/c6-2-3(7)10-4(8)1(9-2)5(11)12/h(H2,8,10)(H,11,12)
InChIKeyPJJSDVAEHFFZNH-UHFFFAOYSA-N
MW343.91 g/mol
LogP1.12
Rot. Bonds1

About 3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid

3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid (PubChem CID 156743414) has the molecular formula C5H3BrIN3O2 and a molecular weight of 343.91 g/mol. Its IUPAC name is 3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid
PubChem CID156743414
Molecular FormulaC5H3BrIN3O2
Molecular Weight343.91 g/mol
Exact Mass342.85
IUPAC Name3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid
SMILESNc1nc(I)c(Br)nc1C(=O)O
InChIInChI=1S/C5H3BrIN3O2/c6-2-3(7)10-4(8)1(9-2)5(11)12/h(H2,8,10)(H,11,12)
InChIKeyPJJSDVAEHFFZNH-UHFFFAOYSA-N
XLogP1.12
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.91
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid 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-amino-6-bromo-5-iodopyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid (CID 156743414) is 3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid is Nc1nc(I)c(Br)nc1C(=O)O.
What is the InChIKey of 3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid?
The InChIKey is PJJSDVAEHFFZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrIN3O2/c6-2-3(7)10-4(8)1(9-2)5(11)12/h(H2,8,10)(H,11,12).
What are the key properties of 3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid?
3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid has a molecular weight of 343.91 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-5-iodopyrazine-2-carboxylic acid is sourced from PubChem (CID 156743414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).