Basic information
- CAS
379727-11-4- Standard SMILES
COc1cc(C=O)ccc1OC(=O)c1ccncc1- InChIKey
HVTQIGWNGJQCHD-UHFFFAOYSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.06880783
Names & identifiers
- Preferred name
- 4-Formyl-2-methoxyphenyl 4-pyridinecarboxylate
- IUPAC
- (4-formyl-2-methoxyphenyl) pyridine-4-carboxylate
Names & synonyms
379727-11-44-Formyl-2-methoxyphenyl 4-pyridinecarboxylateRefChem:2929484-formyl-2-methoxyphenyl pyridine-4-carboxylate(4-formyl-2-methoxyphenyl) pyridine-4-carboxylateOprea1_109541Oprea1_197742MLS000675693CHEMBL1313584SCHEMBL17131866DTXSID601248506HMS2590E16
Show more names
4-formyl-2-methoxyphenyl isonicotinateAKOS000115392SMR000292068CS-0218483EN300-011164-formyl-2-methoxyphenylpyridine-4-carboxylateSR-01000260609(4-formyl-2-methoxy-phenyl) pyridine-4-carboxylate
Database identifiers
- CAS
379727-11-4- PubChem CID
- 889285
- DTXSID
DTXSID601248506- ChEMBL
CHEMBL1313584
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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