3-amino-6-bromo-5-(trifluoromethyl)pyrazine-2-carboxylic acid

C6H3BrF3N3O2 — CID 58442296

IUPAC3-amino-6-bromo-5-(trifluoromethyl)pyrazine-2-carboxylic acid
SMILESNc1nc(C(F)(F)F)c(Br)nc1C(=O)O
InChIInChI=1S/C6H3BrF3N3O2/c7-3-2(6(8,9)10)13-4(11)1(12-3)5(14)15/h(H2,11,13)(H,14,15)
InChIKeySPJOEBDPLMYWBF-UHFFFAOYSA-N
MW286.01 g/mol
LogP1.54
Rot. Bonds1

About 3-amino-6-bromo-5-(trifluoromethyl)pyrazine-2-carboxylic acid

3-amino-6-bromo-5-(trifluoromethyl)pyrazine-2-carboxylic acid (PubChem CID 58442296) has the molecular formula C6H3BrF3N3O2 and a molecular weight of 286.01 g/mol. Its IUPAC name is 3-amino-6-bromo-5-(trifluoromethyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-bromo-5-(trifluoromethyl)pyrazine-2-carboxylic acid
PubChem CID58442296
Molecular FormulaC6H3BrF3N3O2
Molecular Weight286.01 g/mol
Exact Mass284.94
IUPAC Name3-amino-6-bromo-5-(trifluoromethyl)pyrazine-2-carboxylic acid
SMILESNc1nc(C(F)(F)F)c(Br)nc1C(=O)O
InChIInChI=1S/C6H3BrF3N3O2/c7-3-2(6(8,9)10)13-4(11)1(12-3)5(14)15/h(H2,11,13)(H,14,15)
InChIKeySPJOEBDPLMYWBF-UHFFFAOYSA-N
XLogP1.54
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.01
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-bromo-5-(trifluoromethyl)pyrazine-2-carboxylic acid (CID 58442296) is 3-amino-6-bromo-5-(trifluoromethyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-bromo-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-bromo-5-(trifluoromethyl)pyrazine-2-carboxylic acid is Nc1nc(C(F)(F)F)c(Br)nc1C(=O)O.
What is the InChIKey of 3-amino-6-bromo-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
The InChIKey is SPJOEBDPLMYWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3N3O2/c7-3-2(6(8,9)10)13-4(11)1(12-3)5(14)15/h(H2,11,13)(H,14,15).
What are the key properties of 3-amino-6-bromo-5-(trifluoromethyl)pyrazine-2-carboxylic acid?
3-amino-6-bromo-5-(trifluoromethyl)pyrazine-2-carboxylic acid has a molecular weight of 286.01 g/mol, XLogP of 1.54, 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-(trifluoromethyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 58442296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).