Basic information
- CAS
893735-12-1- Standard SMILES
COC(=O)c1cncc(-c2cccc(C#N)c2)c1- InChIKey
FXIKWJMHRYJMGN-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.07422757
Names & identifiers
- Preferred name
- Methyl 5-(3-cyanophenyl)nicotinate
- IUPAC
- methyl 5-(3-cyanophenyl)pyridine-3-carboxylate
- English name
- methyl 5-(3-cyanophenyl)pyridine-3-carboxylate
- Molecular formula
- C14H10N2O2
- Molecular weight
- 238
Names & synonyms
Methyl 5-(3-cyanophenyl)nicotinate893735-12-1methyl 5-(3-cyanophenyl)pyridine-3-carboxylateMethyl5-(3-cyanophenyl)nicotinateDTXSID20602429AKOS004116611DB-265464Methyl 5-(3-cyanophenyl)-3-pyridinecarboxylate
Database identifiers
- CAS
893735-12-1- PubChem CID
- 20099863
- DTXSID
DTXSID20602429
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers1 total
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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