5-amino-6-bromopyrazine-2-carboxylic acid

C5H4BrN3O2 — CID 4218930

IUPAC5-amino-6-bromopyrazine-2-carboxylic acid
SMILESNc1ncc(C(=O)O)nc1Br
InChIInChI=1S/C5H4BrN3O2/c6-3-4(7)8-1-2(9-3)5(10)11/h1H,(H2,7,8)(H,10,11)
InChIKeyZWJHDIXBWPBYGD-UHFFFAOYSA-N
MW218.01 g/mol
LogP0.52
Rot. Bonds1

About 5-amino-6-bromopyrazine-2-carboxylic acid

5-amino-6-bromopyrazine-2-carboxylic acid (PubChem CID 4218930) has the molecular formula C5H4BrN3O2 and a molecular weight of 218.01 g/mol. Its IUPAC name is 5-amino-6-bromopyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-bromopyrazine-2-carboxylic acid
PubChem CID4218930
Molecular FormulaC5H4BrN3O2
Molecular Weight218.01 g/mol
Exact Mass216.95
IUPAC Name5-amino-6-bromopyrazine-2-carboxylic acid
SMILESNc1ncc(C(=O)O)nc1Br
InChIInChI=1S/C5H4BrN3O2/c6-3-4(7)8-1-2(9-3)5(10)11/h1H,(H2,7,8)(H,10,11)
InChIKeyZWJHDIXBWPBYGD-UHFFFAOYSA-N
XLogP0.52
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.01
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-bromopyrazine-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 5-amino-6-bromopyrazine-2-carboxylic acid?
The IUPAC name of 5-amino-6-bromopyrazine-2-carboxylic acid (CID 4218930) is 5-amino-6-bromopyrazine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-bromopyrazine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-bromopyrazine-2-carboxylic acid is Nc1ncc(C(=O)O)nc1Br.
What is the InChIKey of 5-amino-6-bromopyrazine-2-carboxylic acid?
The InChIKey is ZWJHDIXBWPBYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN3O2/c6-3-4(7)8-1-2(9-3)5(10)11/h1H,(H2,7,8)(H,10,11).
What are the key properties of 5-amino-6-bromopyrazine-2-carboxylic acid?
5-amino-6-bromopyrazine-2-carboxylic acid has a molecular weight of 218.01 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-bromopyrazine-2-carboxylic acid is sourced from PubChem (CID 4218930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).