Basic information
- CAS
16439-93-3- Standard SMILES
Brc1nnc(-c2ccncc2)s1- InChIKey
KAUUGBWNSHNIAV-UHFFFAOYSA-N- Molecular formula
- C7H4BrN3S
- Average molar mass
- 242.1 g/mol
- Monoisotopic mass
- 240.93093023
Names & identifiers
- Preferred name
- 4-(5-Bromo-1,3,4-thiadiazol-2-yl)pyridine
- IUPAC
- 2-bromo-5-pyridin-4-yl-1,3,4-thiadiazole
Names & synonyms
16439-93-32-bromo-5-(pyridin-4-yl)-1,3,4-thiadiazole4-(5-Bromo-1,3,4-thiadiazol-2-yl)pyridine2-Bromo-5-(4-pyridyl)-1,3,4-thiadiazole2-bromo-5-pyridin-4-yl-1,3,4-thiadiazolePyridine, 4-(5-bromo-1,3,4-thiadiazol-2-yl)-SCHEMBL4467860DTXSID50727371KAUUGBWNSHNIAV-UHFFFAOYSA-NAKOS012689797DB-313693F95351
Show more names
F8883-3922
Database identifiers
- CAS
16439-93-3- PubChem CID
- 57634262
- DTXSID
DTXSID50727371
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
Related reactions
4 records
Compound notes
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