Methyl 3-chloro-6-methylpicolinate
Basic information
- CAS
894074-83-0- Standard SMILES
COC(=O)c1nc(C)ccc1Cl- InChIKey
XUIMSHWQPOAENN-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO2
- Average molar mass
- 185.61 g/mol
- Monoisotopic mass
- 185.0243562
Names & identifiers
- Preferred name
- Methyl 3-chloro-6-methylpicolinate
- IUPAC
- methyl 3-chloro-6-methylpyridine-2-carboxylate
- English name
- Methyl 3-chloro-6-methylpicolinate
- Molecular formula
- C8H8ClNO2
- Molecular weight
- 185.61
Names & synonyms
Methyl 3-chloro-6-methylpicolinate894074-83-0methyl 3-chloro-6-methylpyridine-2-carboxylateSCHEMBL610102Methyl3-chloro-6-methylpicolinateXUIMSHWQPOAENN-UHFFFAOYSA-N2-Pyridinecarboxylic acid, 3-chloro-6-methyl-, methyl esterDTXSID301189250AT46163SB53277DA-32704Methyl 3-chloro-6-methyl-2-pyridinecarboxylate
Show more names
methyl 3?chloro?6?methylpyridine?2?carboxylate
Database identifiers
- CAS
894074-83-0- PubChem CID
- 59765466
- DTXSID
DTXSID301189250
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 174
Physicochemical properties
- Boiling point
- 269.8 · 269.8±35.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -0.67 · -0.67±0.10(Predicted)
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Related reactions
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Compound notes
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