Basic information
- Standard SMILES
O=C(O)c1cccc(C#Cc2ccccc2)n1- InChIKey
LZPQHDSJUPNZFH-UHFFFAOYSA-N- Molecular formula
- C14H9NO2
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.06332853
Names & identifiers
- Preferred name
- 6-Phenylethynyl-pyridine-2-carboxylic acid
- IUPAC
- 6-(2-phenylethynyl)pyridine-2-carboxylic acid
Names & synonyms
SCHEMBL1202115LZPQHDSJUPNZFH-UHFFFAOYSA-N6-phenylethynyl-pyridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 66940404
- Nikkaji
- J1.933.949A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Related reactions
12 records
Compound notes
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