6-Cycloheptyl-3-pyridinecarboxylic acid
Basic information
- CAS
1228112-81-9- Standard SMILES
O=C(O)c1ccc(C2CCCCCC2)nc1- InChIKey
KEKQOZTYVDPSPU-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- 6-Cycloheptyl-3-pyridinecarboxylic acid
- IUPAC
- 6-cycloheptylpyridine-3-carboxylic acid
Names & synonyms
DTXSID6012776566-Cycloheptyl-3-pyridinecarboxylic acid6-Cycloheptylpyridine-3-carboxylic acid1228112-81-9
Database identifiers
- CAS
1228112-81-9- PubChem CID
- 105474366
- DTXSID
DTXSID601277656
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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