3-Bromo-5-methoxypicolinonitrile
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Basic information
- CAS
717843-46-4- Standard SMILES
COc1cnc(C#N)c(Br)c1- InChIKey
GPBTUSDUDZPOSH-UHFFFAOYSA-N- Molecular formula
- C7H5BrN2O
- Average molar mass
- 213.03 g/mol
Names & identifiers
- Preferred name
- 3-Bromo-5-methoxypicolinonitrile
- IUPAC
- 3-bromo-5-methoxypyridine-2-carbonitrile
- English name
- 3-Bromo-5-methoxypicolinonitrile
- Molecular formula
- C7H5BrN2O
- Molecular weight
- 213.03
Names & synonyms
3-Bromo-5-methoxypicolinonitrile717843-46-43-bromo-5-methoxypyridine-2-carbonitrileMFCD08062679SCHEMBL18463083-bromo-2-cyano-5-methoxypyridineAKOS0221902603-Bromo-5-methoxy-2-pyridinecarbonitrileBS-17468SY4195933-bromo-5-methoxy-pyridine-2-carbonitrileDB-165608
Show more names
2-Pyridinecarbonitrile, 3-bromo-5-methoxy-
CS-0150506D82833F957091
Database identifiers
- CAS
717843-46-4
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 336.7 · 336.7±42.0 °C(Predicted)
- Density
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -6.57 · -6.57±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
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
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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