Tert-butyl 3-chloropyridine-4-carboxylate
Basic information
- CAS
1466869-19-1- Standard SMILES
CC(C)(C)OC(=O)c1ccncc1Cl- InChIKey
OMTHMTRLZQHWHR-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO2
- Average molar mass
- 213.66 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-chloropyridine-4-carboxylate
- IUPAC
- tert-butyl 3-chloropyridine-4-carboxylate
- English name
- tert-butyl 3-chloropyridine-4-carboxylate
- Molecular formula
- C10H12ClNO2
- Molecular weight
- 213.66
Names & synonyms
tert-Butyl 3-chloroisonicotinatetert-butyl 3-chloropyridine-4-carboxylate1466869-19-1MFCD18910175t-Butyl 3-chloroisonicotinateAKOS015157146G57566EN300-50914151,1-Dimethylethyl 3-chloro-4-pyridinecarboxylate4-Pyridinecarboxylic acid, 3-chloro-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1466869-19-1
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 271.5 · 271.5±20.0 °C(Predicted)
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- pka
- 0.9 · 0.90±0.18(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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