Basic information
- CAS
1211518-35-2- Standard SMILES
COC(=O)c1ccc(C(F)(F)F)c(Cl)n1- InChIKey
PODTYUCVUPUSNR-UHFFFAOYSA-N- Molecular formula
- C8H5ClF3NO2
- Average molar mass
- 239.58 g/mol
- Monoisotopic mass
- 238.99609074
Names & identifiers
- Preferred name
- Methyl 6-chloro-5-(trifluoromethyl)picolinate
- IUPAC
- methyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
- English name
- Methyl 6-chloro-5-(trifluoroMethyl)picolinate
- Molecular formula
- C8H5ClF3NO2
- Molecular weight
- 239.58
Names & synonyms
Methyl 6-chloro-5-(trifluoromethyl)picolinate1211518-35-2methyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylateMFCD18255501Methyl6-chloro-5-(trifluoromethyl)picolinateSCHEMBL14151683DTXSID10743794AKOS016002756DS-3549SY114599CS-0041631SCHEMBL30640915
Show more names
6-Chloro-5-trifluoromethyl-pyridine-2-carboxylic acid methyl ester2-Pyridinecarboxylic acid, 6-chloro-5-(trifluoromethyl)-, methyl ester
DB-243716F2209636-Chloro-5-(trifluoromethyl)-pyridine-2-carboxylic acid methyl ester
Database identifiers
- CAS
1211518-35-2- PubChem CID
- 70701015
- DTXSID
DTXSID10743794
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 299.8 · 299.8±40.0 °C(Predicted)
- Density
- 1.443 · 1.443±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -3.45 · -3.45±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl 6-Chloro-5-(trifluoromethyl)picolinate is used in preparation of pyridine amides as cannabinoid CB2 receptor agonists.
Upstream & downstream products
Upstream raw materials
Suppliers56 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海策嵘生物科技有限公司[email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Related reactions
2 records
Compound notes
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