5-(3,4-Dimethoxyphenyl)-2-pyridinecarboxamide
Basic information
- CAS
87789-68-2- Standard SMILES
COc1ccc(-c2ccc(C(N)=O)nc2)cc1OC- InChIKey
UVFIAETYSRCZBS-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.10044231
Names & identifiers
- Preferred name
- 5-(3,4-Dimethoxyphenyl)-2-pyridinecarboxamide
- IUPAC
- 5-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
- English name
- 2-Pyridinecarboxamide, 5-(3,4-dimethoxyphenyl)-
- Molecular formula
- C14H14N2O3
- Molecular weight
- 258.27
Names & synonyms
5-(3,4-Dimethoxyphenyl)-2-pyridinecarboxamide87789-68-2SCHEMBL12592207DTXSID9012520035-(3,4-dimethoxyphenyl)pyridine-2-carboxamide5-(3,4-dimethoxyphenyl)picolinamide2-Pyridinecarboxamide, 5-(3,4-dimethoxyphenyl)-
Database identifiers
- CAS
87789-68-2- PubChem CID
- 57809072
- DTXSID
DTXSID901252003
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 446.54 · 446.540±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.08 · 15.080±0.50(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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