Methyl 6-(4-fluorophenyl)picolinate
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Basic information
- CAS
1390624-20-0- Standard SMILES
COC(=O)c1cccc(-c2ccc(F)cc2)n1- InChIKey
CHYQGPBVPDBUPI-UHFFFAOYSA-N- Molecular formula
- C13H10FNO2
- Average molar mass
- 231.22 g/mol
Names & identifiers
- Preferred name
- Methyl 6-(4-fluorophenyl)picolinate
- IUPAC
- methyl 6-(4-fluorophenyl)pyridine-2-carboxylate
- English name
- 2-Pyridinecarboxylic acid, 6-(4-fluorophenyl)-, methyl ester
- Molecular formula
- C13H10FNO2
- Molecular weight
- 231.22
Names & synonyms
METHYL 6-(4-FLUOROPHENYL)PICOLINATE1390624-20-0methyl 6-(4-fluorophenyl)pyridine-2-carboxylateMFCD20038603SCHEMBL11297183E80226Methyl 6-(4-fluorophenyl)-2-pyridinecarboxylate6-(4-fluorophenyl)pyridine-2-carboxylic acid methyl ester2-Pyridinecarboxylic acid, 6-(4-fluorophenyl)-, methyl ester
Database identifiers
- CAS
1390624-20-0
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 370.6 · 370.6±32.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- 1.51 · 1.51±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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