2-[(2,4-Dimethoxyphenyl)amino]nicotinic acid
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Basic information
- CAS
460363-29-5- Standard SMILES
COc1ccc(Nc2ncccc2C(=O)O)c(OC)c1- InChIKey
MHMFJIIOBLFSFC-UHFFFAOYSA-N- Molecular formula
- C14H14N2O4
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.09535693
Names & identifiers
- Preferred name
- 2-[(2,4-Dimethoxyphenyl)amino]nicotinic acid
- IUPAC
- 2-(2,4-dimethoxyanilino)pyridine-3-carboxylic acid
- English name
- 2-[(2,4-dimethoxyphenyl)amino]pyridine-3-carboxylic acid
- Molecular formula
- C14H14N2O4
- Molecular weight
- 274.27
Names & synonyms
2-[(2,4-Dimethoxyphenyl)amino]nicotinic acid460363-29-52-(2,4-dimethoxyanilino)pyridine-3-carboxylic acid2-[(2,4-dimethoxyphenyl)amino]pyridine-3-carboxylic Acid3-pyridinecarboxylic acid, 2-[(2,4-dimethoxyphenyl)amino]-Oprea1_462844ALBB-029001AKOS000214083LS-100852-[(2,4-Dimethoxyphenyl)amino]nicotinicacidH443312-[(2,4-dimethoxyphenyl)amino]-3-pyridinecarboxylic acid
Database identifiers
- CAS
460363-29-5- PubChem CID
- 3655274
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 439.9 · 439.9±45.0 °C(Predicted)
- Density
- 1.31 · 1.310±0.06 g/cm3(Predicted)
- pka
- 1.7 · 1.70±0.36(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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