Basic information
- CAS
917969-53-0- Standard SMILES
O=c1[nH]nc2c(I)c(Br)ccn12- InChIKey
JZGAAYLOMBYDOE-UHFFFAOYSA-N- Molecular formula
- C6H3BrIN3O
- Average molar mass
- 339.92 g/mol
- Monoisotopic mass
- 338.85042182
Names & identifiers
- Preferred name
- 7-bromo-8-iodo-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
- IUPAC
- 7-bromo-8-iodo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
- English name
- 7-BROMO-8-IODO-(1,2,4)TRIAZOLO(4,3-A)PYRIDIN-3(2H)-ONE
- Molecular formula
- C6H3BrIN3O
- Molecular weight
- 339.92
Names & synonyms
917969-53-07-bromo-8-iodo-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one7-BROMO-8-IODO-(1,2,4)TRIAZOLO(4,3-A)PYRIDIN-3(2H)-ONEVT1435SCHEMBL4476188DTXSID60727928JZGAAYLOMBYDOE-UHFFFAOYSA-NMFCD26407331DB-2079927-Bromo-8-iodo-1,2,4-triazolo[4,3-a]pyridin-3(2h)-one7-Bromo-8-iodo[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, 7-bromo-8-iodo-
Database identifiers
- CAS
917969-53-0- PubChem CID
- 57799368
- DTXSID
DTXSID60727928
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Density
- 2.83 · 2.83±0.1 g/cm3(Predicted)
- pka
- 6.34 · 6.34±0.60(Predicted)
Chemistry & industry
Suppliers4 total
Fluorochem Ltd[email protected]
A.J Chemicals[email protected]
ASTATECH[email protected]
ARENA CHEMICAL[email protected]
Related reactions
4 records
Compound notes
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