3-amino-6-bromopyrazine-2-carboxylic acid

C5H4BrN3O2 — CID 18521600

IUPAC3-amino-6-bromopyrazine-2-carboxylic acid
SMILESNc1ncc(Br)nc1C(=O)O
InChIInChI=1S/C5H4BrN3O2/c6-2-1-8-4(7)3(9-2)5(10)11/h1H,(H2,7,8)(H,10,11)
InChIKeyMTNAQEKMSVDTAQ-UHFFFAOYSA-N
MW218.01 g/mol
LogP0.52
Rot. Bonds1

About 3-amino-6-bromopyrazine-2-carboxylic acid

3-amino-6-bromopyrazine-2-carboxylic acid (PubChem CID 18521600) has the molecular formula C5H4BrN3O2 and a molecular weight of 218.01 g/mol. Its IUPAC name is 3-amino-6-bromopyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-bromopyrazine-2-carboxylic acid
PubChem CID18521600
Molecular FormulaC5H4BrN3O2
Molecular Weight218.01 g/mol
Exact Mass216.95
IUPAC Name3-amino-6-bromopyrazine-2-carboxylic acid
SMILESNc1ncc(Br)nc1C(=O)O
InChIInChI=1S/C5H4BrN3O2/c6-2-1-8-4(7)3(9-2)5(10)11/h1H,(H2,7,8)(H,10,11)
InChIKeyMTNAQEKMSVDTAQ-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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromopyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-bromopyrazine-2-carboxylic acid (CID 18521600) is 3-amino-6-bromopyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-bromopyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-bromopyrazine-2-carboxylic acid is Nc1ncc(Br)nc1C(=O)O.
What is the InChIKey of 3-amino-6-bromopyrazine-2-carboxylic acid?
The InChIKey is MTNAQEKMSVDTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN3O2/c6-2-1-8-4(7)3(9-2)5(10)11/h1H,(H2,7,8)(H,10,11).
What are the key properties of 3-amino-6-bromopyrazine-2-carboxylic acid?
3-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 3-amino-6-bromopyrazine-2-carboxylic acid is sourced from PubChem (CID 18521600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).