2-Amino-6-(4-bromophenyl)-3,4,5-pyridinetricarbonitrile
Basic information
- CAS
478068-14-3- Standard SMILES
N#Cc1c(N)nc(-c2ccc(Br)cc2)c(C#N)c1C#N- InChIKey
FYHGYGHPDQIAFV-UHFFFAOYSA-N- Molecular formula
- C14H6BrN5
- Average molar mass
- 324.13 g/mol
- Monoisotopic mass
- 322.98066
Names & identifiers
- Preferred name
- 2-Amino-6-(4-bromophenyl)-3,4,5-pyridinetricarbonitrile
- IUPAC
- 2-amino-6-(4-bromophenyl)pyridine-3,4,5-tricarbonitrile
- English name
- 2-Amino-6-(4-bromophenyl)-3,4,5-pyridinetricarbonitrile
- Molecular formula
- C14H6BrN5
- Molecular weight
- 324.13
Names & synonyms
478068-14-32-amino-6-(4-bromophenyl)-3,4,5-pyridinetricarbonitrile2-amino-6-(4-bromophenyl)pyridine-3,4,5-tricarbonitrileMFCD01871642C14H6BrN5DTXSID001203954AKOS0051013007P-0973,4,5-Pyridinetricarbonitrile, 2-amino-6-(4-bromophenyl)-
Database identifiers
- CAS
478068-14-3- PubChem CID
- 1484902
- DTXSID
DTXSID001203954
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 497
Physicochemical properties
- Boiling point
- 585.5 · 585.5±50.0 °C(Predicted)
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- pka
- -4.5 · -4.50±0.34(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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