(2,3,6-Trimethylphenyl) 2-chloropyridine-3-carboxylate
Basic information
- CAS
721913-97-9- Standard SMILES
Cc1ccc(C)c(OC(=O)c2cccnc2Cl)c1C- InChIKey
OJBBNLUTSQVHFK-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO2
- Average molar mass
- 275.73 g/mol
- Monoisotopic mass
- 275.0713064
Names & identifiers
- Preferred name
- (2,3,6-Trimethylphenyl) 2-chloropyridine-3-carboxylate
- IUPAC
- (2,3,6-trimethylphenyl) 2-chloropyridine-3-carboxylate
Names & synonyms
721913-97-92,3,6-trimethylphenyl 2-chloropyridine-3-carboxylate(2,3,6-trimethylphenyl) 2-chloropyridine-3-carboxylateEnamine_004763MLS001172544CHEMBL1348376DTXSID001324653HMS1407I11HMS2909G22AKOS033974818SMR000591115EN300-26581504
Show more names
Z26775465
Database identifiers
- CAS
721913-97-9- PubChem CID
- 4522249
- DTXSID
DTXSID001324653- ChEMBL
CHEMBL1348376
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Experimental & physicochemical properties
Solubility14.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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