Basic information
- CAS
38173-40-9- Standard SMILES
COC(=O)c1ccncc1C(=O)Cl- InChIKey
RWKNQGCJEPRQSS-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO3
- Average molar mass
- 199.59 g/mol
- Monoisotopic mass
- 199.0036207
Names & identifiers
- Preferred name
- 4-Pyridinecarboxylic acid, 3-(chlorocarbonyl)-, methyl ester
- IUPAC
- methyl 3-carbonochloridoylpyridine-4-carboxylate
Names & synonyms
38173-40-94-Pyridinecarboxylic acid, 3-(chlorocarbonyl)-, methyl esterRefChem:2960484-methoxycarbonylnicotinoyl chlorideSCHEMBL3459640RWKNQGCJEPRQSS-UHFFFAOYSA-NDTXSID301185353methyl 3-chlorocarbonylisonicotinate3-Chlorocarbonyl-isonicotinic acid methyl esterMethyl 3-(chlorocarbonyl)pyridine-4-carboxylate
Database identifiers
- CAS
38173-40-9- PubChem CID
- 14005155
- DTXSID
DTXSID301185353
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Related reactions
4 records
Compound notes
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