5-Bromo-4,6-dimethyl-2-morpholinonicotinonitrile
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Basic information
- CAS
866019-05-8- Standard SMILES
Cc1nc(N2CCOCC2)c(C#N)c(C)c1Br- InChIKey
XNXZOAONJITEFN-UHFFFAOYSA-N- Molecular formula
- C12H14BrN3O
- Average molar mass
- 296.16 g/mol
- Monoisotopic mass
- 295.03202
Names & identifiers
- Preferred name
- 5-Bromo-4,6-dimethyl-2-morpholinonicotinonitrile
- IUPAC
- 5-bromo-4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile
- English name
- 5-BROMO-4,6-DIMETHYL-2-MORPHOLINONICOTINONITRILE
- Molecular formula
- C12H14BrN3O
- Molecular weight
- 296.16
Names & synonyms
866019-05-85-bromo-4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile5-bromo-4,6-dimethyl-2-morpholinonicotinonitrileMFCD037871405-bromo-4,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrileMLS000541358CHEMBL1495286DTXSID401181635HMS2332G04AKOS015992821SMR000126216CS-0457456
Show more names
3-Pyridinecarbonitrile, 5-bromo-4,6-dimethyl-2-(4-morpholinyl)-
4W-08135-bromo-4,6-dimethyl-2-morpholino-pyridine-3-carbonitrile5-Bromo-4,6-dimethyl-2-(4-morpholinyl)-3-pyridinecarbonitrile
Database identifiers
- CAS
866019-05-8- PubChem CID
- 1478058
- DTXSID
DTXSID401181635- ChEMBL
CHEMBL1495286
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Boiling point
- 464.6 · 464.6±45.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 1.25 · 1.25±0.18(Predicted)
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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