Methyl 2-(isonicotinoylamino)benzenecarboxylate
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Basic information
- CAS
60658-02-8- Standard SMILES
COC(=O)c1ccccc1NC(=O)c1ccncc1- InChIKey
WEKMIMCAEGYNET-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479225
Names & identifiers
- Preferred name
- Methyl 2-(isonicotinoylamino)benzenecarboxylate
- IUPAC
- methyl 2-(pyridine-4-carbonylamino)benzoate
- English name
- METHYL 2-(ISONICOTINOYLAMINO)BENZENECARBOXYLATE
- Molecular formula
- C14H12N2O3
- Molecular weight
- 256.26
Names & synonyms
60658-02-8methyl 2-(isonicotinoylamino)benzenecarboxylateMethyl 2-(isonicotinamido)benzoatemethyl 2-(pyridine-4-carbonylamino)benzoatemethyl 2-(pyridine-4-amido)benzoateMFCD01033591methyl 2-(4-pyridylcarbonylamino)benzoateCDS1_003532CBMicro_010956Oprea1_502000DivK1c_004572Methyl2-(isonicotinamido)benzoate
Show more names
Benzoic acid, 2-[(4-pyridinylcarbonyl)amino]-, methyl ester
methyl2-(isonicotinoylamino)benzoateSBB101720STK413606AKOS001416616DB-087540ST50943280methyl 2-[(pyridin-4-ylcarbonyl)amino]benzoatemethyl 2-[(pyridine-4-carbonyl)amino]benzoate
Database identifiers
- CAS
60658-02-8- PubChem CID
- 40079
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 124 · 124-127°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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_class
- IRRITANT
- 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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