8-bromo-7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

HCID 57799447
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Basic information

CAS
917969-31-4
Standard SMILES
O=c1[nH]nc2c(Br)c(Cl)ccn12
InChIKey
DXIPFNBSDUDZFX-UHFFFAOYSA-N
Molecular formula
C6H3BrClN3O
Average molar mass
248.46 g/mol
Monoisotopic mass
246.9148

Names & identifiers

Preferred name
8-bromo-7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
IUPAC
8-bromo-7-chloro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Names & synonyms

917969-31-48-bromo-7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneSCHEMBL4476775DTXSID20727944DXIPFNBSDUDZFX-UHFFFAOYSA-NDB-2081528-Bromo-7-chloro-1,2,4-triazolo[4,3-a]pyridin-3(2h)-one8-Bromo-7-chloro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Database identifiers

CAS
917969-31-4
PubChem CID
57799447
DTXSID
DTXSID20727944

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
44.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12

Related reactions

5 records
New reaction record

Compound notes

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