Basic information
- Standard SMILES
O=C(O)c1cc(I)c(Cl)cn1- InChIKey
KQWKJUJWBYMDOR-UHFFFAOYSA-N- Molecular formula
- C6H3ClINO2
- Average molar mass
- 283.45 g/mol
- Monoisotopic mass
- 282.8897
Names & identifiers
- Preferred name
- 5-Chloro-4-iodo-2-pyridinecarboxylic acid
- IUPAC
- 5-chloro-4-iodopyridine-2-carboxylic acid
Names & synonyms
5-chloro-4-iodo-2-pyridinecarboxylic acidSCHEMBL15776540KQWKJUJWBYMDOR-UHFFFAOYSA-N5-chloro-4-iodo-pyridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 85592091
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Related reactions
4 records
Compound notes
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