5-(2-Methoxyethylamino)pyridine-3-carboxylic acid
Basic information
- CAS
500865-56-5- Standard SMILES
COCCNc1cncc(C(=O)O)c1- InChIKey
CAQCMGUKZASCAQ-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3
- Average molar mass
- 196.2 g/mol
Names & identifiers
- Preferred name
- 5-(2-Methoxyethylamino)pyridine-3-carboxylic acid
- IUPAC
- 5-(2-methoxyethylamino)pyridine-3-carboxylic acid
- English name
- 3-Pyridinecarboxylicacid,5-[(2-methoxyethyl)amino]-(9CI)
- Molecular formula
- C9H12N2O3
- Molecular weight
- 196.2
Names & synonyms
NSC608551500865-56-5NSC-608551DB-2717833-PYRIDINECARBOXYLIC ACID, 5-[(2-METHOXYETHYL)AMINO]-3-Pyridinecarboxylicacid,5-[(2-methoxyethyl)amino]-(9CI)
Database identifiers
- CAS
500865-56-5
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 421.9 · 421.9±40.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- pka
- 2.32 · 2.32±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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