Picolinic acid, 5-propyl-
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Basic information
- CAS
39161-37-0- Standard SMILES
CCCc1ccc(C(=O)O)nc1- InChIKey
RAQLHHNBGLJEAK-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Overview
5-propyl-2-pyridinecarboxylic acid is a pyrimidinecarboxylic acid.
Names & identifiers
- Preferred name
- Picolinic acid, 5-propyl-
- IUPAC
- 5-propylpyridine-2-carboxylic acid
- English name
- 5-Propylpyridine-2-carboxylic acid
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
5-Propylpicolinic acid5-Propyl-2-pyridinecarboxylic acid39161-37-0Picolinic acid, 5-propyl-2-Pyridinecarboxylic acid, 5-propyl-BRN 0118245DTXSID301924024-22-00-00752 (Beilstein Handbook Reference)RefChem:371665DTXCID001148932-Pyridinecarboxylic acid, 5-propyl-(9CI)5-propylpyridine-2-carboxylic acid
Show more names
Oprea1_249921Oprea1_731380SCHEMBL7454734CHEMBL4790920CHEBI:95246STK038598AKOS005383008CCG-214842
Database identifiers
- CAS
39161-37-0- PubChem CID
- 217663
- DTXSID
DTXSID30192402- ChEMBL
CHEMBL4790920- ChEBI
CHEBI:95246- Nikkaji
- J107.187D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 127 · 127-128 °C(Solv: benzene (71-43-2))
- Boiling point
- 317.1 · 317.1±30.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- pka
- 1.11 · 1.11±0.50(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 5-propyl-2-pyridinecarboxylic acid is a pyrimidinecarboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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