2-Pyrazinecarboxylic acid, 5-(fluoromethyl)-, methyl ester

HCID 69936503
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Basic information

CAS
1262803-65-5
Standard SMILES
COC(=O)c1cnc(CF)cn1
InChIKey
WOZLOPJNKMGHBE-UHFFFAOYSA-N
Molecular formula
C7H7FN2O2
Average molar mass
170.14 g/mol
Monoisotopic mass
170.04915568

Names & identifiers

Preferred name
2-Pyrazinecarboxylic acid, 5-(fluoromethyl)-, methyl ester
IUPAC
methyl 5-(fluoromethyl)pyrazine-2-carboxylate

Names & synonyms

1262803-65-5methyl 5-(fluoromethyl)pyrazine-2-carboxylate2-Pyrazinecarboxylic acid, 5-(fluoromethyl)-, methyl esterSCHEMBL6917612WOZLOPJNKMGHBE-UHFFFAOYSA-NDTXSID601191218DB-109418

Database identifiers

CAS
1262803-65-5
PubChem CID
69936503
DTXSID
DTXSID601191218

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
52.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
12

Related reactions

9 records
New reaction record

Compound notes

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