Basic information
- Standard SMILES
COC(=O)c1ccnc(-c2ccc(-c3ccc(O)c(C#N)c3)c(C#N)c2)c1- InChIKey
OBWWCEXFXMXJPW-UHFFFAOYSA-N- Molecular formula
- C21H13N3O3
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 355.09569129
Names & identifiers
- Preferred name
- Methyl 2-(2,3'-dicyano-4'-hydroxybiphenyl-4-yl)isonicotinate
- IUPAC
- methyl 2-[3-cyano-4-(3-cyano-4-hydroxyphenyl)phenyl]pyridine-4-carboxylate
Names & synonyms
SCHEMBL1330018OBWWCEXFXMXJPW-UHFFFAOYSA-Nmethyl 2-(2,3'-dicyano-4'-hydroxybiphenyl-4-yl)isonicotinate
Database identifiers
- PubChem CID
- 136407394
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 633
Related reactions
3 records
Compound notes
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