2-Chloro-6-(cyclopropylethynyl)nicotinic acid
Basic information
- Standard SMILES
O=C(O)c1ccc(C#CC2CC2)nc1Cl- InChIKey
CLLFQPBIXZENEP-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO2
- Average molar mass
- 221.64 g/mol
- Monoisotopic mass
- 221.0243562
Names & identifiers
- Preferred name
- 2-Chloro-6-(cyclopropylethynyl)nicotinic acid
- IUPAC
- 2-chloro-6-(2-cyclopropylethynyl)pyridine-3-carboxylic acid
Names & synonyms
SCHEMBL3583631CLLFQPBIXZENEP-UHFFFAOYSA-NDB-0937302-chloro-6-(cyclopropylethynyl)nicotinic acid908247-41-6
Database identifiers
- PubChem CID
- 57804151
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 326
Related reactions
2 records
Compound notes
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