Basic information
- CAS
61948-43-4- Standard SMILES
COc1ccc(-c2c(N)cnc(C(=O)O)c2C)c(O)c1OC- InChIKey
CTSHLPJLRNLIGI-UHFFFAOYSA-N- Molecular formula
- C15H16N2O5
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.10592162
Names & identifiers
- Preferred name
- 2-Pyridinecarboxylic acid, 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-
- IUPAC
- 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid
Names & synonyms
61948-43-42-Pyridinecarboxylic acid, 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-NSC266502NSC 266502NSC-2665023NX65BR8DLDTXSID80977488DS-0136985-amino-4-(2-hydroxy-3,4-dimethoxy-phenyl)-3-methyl-pyridine-2-carboxylic acid5-Amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-2-pyridinecarboxylic acid5-AMINO-4-(2-HYDROXY-3,4-DIMETHOXYPHENYL)-3-METHYLPYRIDINE-2-CARBOXYLIC ACID
Database identifiers
- CAS
61948-43-4- PubChem CID
- 320179
- DTXSID
DTXSID80977488- UNII
- 3NX65BR8DL
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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