3-(5-bromo-2-fluorobenzoylamino)pyrazine-2-carboxylic Acid Methyl Ester

HCID 57742382
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1nccnc1NC(=O)c1cc(Br)ccc1F
InChIKey
HJUWTIBXCRUALM-UHFFFAOYSA-N
Molecular formula
C13H9BrFN3O3
Average molar mass
354.13 g/mol

Names & identifiers

Preferred name
3-(5-bromo-2-fluorobenzoylamino)pyrazine-2-carboxylic Acid Methyl Ester
IUPAC
methyl 3-[(5-bromo-2-fluorobenzoyl)amino]pyrazine-2-carboxylate

Names & synonyms

SCHEMBL2128243HJUWTIBXCRUALM-UHFFFAOYSA-N3-(5-bromo-2-fluorobenzoylamino)pyrazine-2-carboxylic Acid Methyl Ester

Database identifiers

PubChem CID
57742382

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
81.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
21

Related reactions

2 records
New reaction record

Compound notes

Loading…