Basic information
- CAS
109737-31-7- Standard SMILES
COC(=O)c1cncc(NC(C)=O)c1- InChIKey
LUGPHYQLAJRAHM-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.06914219
Names & identifiers
- Preferred name
- Methyl 5-acetamidopyridine-3-carboxylate
- IUPAC
- methyl 5-acetamidopyridine-3-carboxylate
- English name
- 3-Pyridinecarboxylicacid,5-(acetylamino)-,methylester(9CI)
- Molecular formula
- C9H10N2O3
- Molecular weight
- 194.19
Names & synonyms
methyl 5-acetamidopyridine-3-carboxylate109737-31-7Methyl 5-acetamidonicotinate3-Pyridinecarboxylicacid,5-(acetylamino)-,methylester(9CI)MFCD22392129JEA73731AKOS026672432methyl5-acetamidopyridine-3-carboxylateSB53240BS-26639CS-0081635D74355
Show more names
EN300-111705F610622Z14361878863-Pyridinecarboxylic acid, 5-(acetylamino)-, methyl ester
Database identifiers
- CAS
109737-31-7- PubChem CID
- 45089331
- EC Number
- 885-469-7
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 380.3 · 380.3±27.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- pka
- 13.76 · 13.76±0.70(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
Chemistry & industry
Suppliers5 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…