3-(Chloroacetyl)pyridine-2-carboxylic acid
Basic information
- CAS
500689-81-6- Standard SMILES
O=C(CCl)c1cccnc1C(=O)O- InChIKey
WNLXMZAVHQJLID-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO3
- Average molar mass
- 199.59 g/mol
- Monoisotopic mass
- 199.0036207
Names & identifiers
- Preferred name
- 3-(Chloroacetyl)pyridine-2-carboxylic acid
- IUPAC
- 3-(2-chloroacetyl)pyridine-2-carboxylic acid
- English name
- 2-Pyridinecarboxylic acid, 3-(chloroacetyl)- (9CI)
- Molecular formula
- C8H6ClNO3
- Molecular weight
- 199.59
Names & synonyms
500689-81-63-(2-Chloroacetyl)picolinic acid3-(chloroacetyl)pyridine-2-carboxylic acid2-PYRIDINECARBOXYLIC ACID, 3-(CHLOROACETYL)-NSC148920DTXSID30302125NSC-148920DB-2710632-Pyridinecarboxylic acid, 3-(2-chloroacetyl)-2-Pyridinecarboxylic acid, 3-(chloroacetyl)- (9CI)
Database identifiers
- CAS
500689-81-6- PubChem CID
- 288185
- DTXSID
DTXSID30302125
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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