Picolinic acid, 5-octyl-
Basic information
- CAS
26405-30-1- Standard SMILES
CCCCCCCCc1ccc(C(=O)O)nc1- InChIKey
TVASHDLWKCMJDO-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- Picolinic acid, 5-octyl-
- IUPAC
- 5-octylpyridine-2-carboxylic acid
- English name
- 5-Octylpyridine-2-carboxylic acid
- Molecular formula
- C14H21NO2
- Molecular weight
- 235.32
Names & synonyms
Picolinic acid, 5-octyl-26405-30-1DTXSID80181003RefChem:1095596DTXCID501034945-Octylpicolinic acid5-octylpyridine-2-carboxylic acid5-Octyl-2-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 5-octyl-BRN 04750105-22-02-00402 (Beilstein Handbook Reference)SCHEMBL10662805
Show more names
TVASHDLWKCMJDO-UHFFFAOYSA-NQ63399701
Database identifiers
- CAS
26405-30-1- PubChem CID
- 213487
- DTXSID
DTXSID80181003- Nikkaji
- J107.185H
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 381.6 · 381.6±30.0 °C(Predicted)
- Density
- 1.036 · 1.036±0.06 g/cm3(Predicted)
- pka
- 1.11 · 1.11±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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