2-((4-Bromophenyl)thio)-3-nitropyridine
Basic information
- CAS
200930-64-9- Standard SMILES
O=[N+]([O-])c1cccnc1Sc1ccc(Br)cc1- InChIKey
ALXMJLHAUALJAS-UHFFFAOYSA-N- Molecular formula
- C11H7BrN2O2S
- Average molar mass
- 311.16 g/mol
- Monoisotopic mass
- 309.94116
Names & identifiers
- Preferred name
- 2-((4-Bromophenyl)thio)-3-nitropyridine
- IUPAC
- 2-(4-bromophenyl)sulfanyl-3-nitropyridine
- English name
- 2-[(4-bromophenyl)sulfanyl]-3-nitropyridine
- Molecular formula
- C11H7BrN2O2S
- Molecular weight
- 311.15
Names & synonyms
200930-64-92-((4-Bromophenyl)thio)-3-nitropyridine2-(4-bromophenyl)sulfanyl-3-nitropyridine2-[(4-bromophenyl)sulfanyl]-3-nitropyridine2-(4-Bromophenyl)sulphanyl-3-nitropyridineMLS001179347CHEMBL1726722DTXSID201320095HMS2806J22LEA31790MFCD01927950AKOS008567423
Show more names
Pyridine, 2-[(4-bromophenyl)thio]-3-nitro-
SMR000476503AJ-333/09216011
Database identifiers
- CAS
200930-64-9- PubChem CID
- 901288
- DTXSID
DTXSID201320095- ChEMBL
CHEMBL1726722- Nikkaji
- J903.714D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Experimental & physicochemical properties
Solubility1.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…