Methyl 2-bromo-6-chloroisonicotinate
Basic information
- CAS
1206250-22-7- Standard SMILES
COC(=O)c1cc(Cl)nc(Br)c1- InChIKey
CZRXZMDYMMNDTB-UHFFFAOYSA-N- Molecular formula
- C7H5BrClNO2
- Average molar mass
- 250.48 g/mol
- Monoisotopic mass
- 248.91922
Names & identifiers
- Preferred name
- Methyl 2-bromo-6-chloroisonicotinate
- IUPAC
- methyl 2-bromo-6-chloropyridine-4-carboxylate
- English name
- Methyl 2-broMo-6-chloroisonicotinate
- Molecular formula
- C7H5BrClNO2
- Molecular weight
- 250.48
Names & synonyms
methyl 2-bromo-6-chloroisonicotinate1206250-22-7methyl 2-bromo-6-chloropyridine-4-carboxylate2-Bromo-6-chloro-4-pyridinecarboxylic Acid Methyl EsterMFCD14582026SY368994DB-343252CS-0191528E90914methyl 2-bromo-6-chloro-pyridine-4-carboxylateF629414A1-07243
Show more names
4-Pyridinecarboxylic acid, 2-bromo-6-chloro-, methyl ester
Database identifiers
- CAS
1206250-22-7- PubChem CID
- 46311195
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 309.3 · 309.3±37.0 °C(Predicted)
- Density
- 1.684 · 1.684±0.06 g/cm3(Predicted)
- pka
- -4.32 · -4.32±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 9999999999 · 9999999999
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
- 9999999999
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Bromo-6-chloro-4-pyridinecarboxylic Acid Methyl Ester, can be used as an intermediate in the preparation of Trifluoromethyl-Substituted pyridines, possessing wide range of bioactivites.
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Related reactions
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Compound notes
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