Basic information
- CAS
944769-52-2- Standard SMILES
N#Cc1ccc(-c2cccnc2)nc1SCCC(=O)c1ccc(F)cc1- InChIKey
FUKRNQGGUQVXPW-UHFFFAOYSA-N- Molecular formula
- C20H14FN3OS
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.08416141
Names & identifiers
- Preferred name
- 2-[3-(4-Fluorophenyl)-3-oxopropylthio]-6-(3-pyridyl)pyridine-3-carbonitrile
- IUPAC
- 2-[3-(4-fluorophenyl)-3-oxopropyl]sulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile
- English name
- 3-cyano-2-{[3-(4-fluorophenyl)-3-oxopropyl]sulfanyl}-3',6-bipyridine
- Molecular formula
- C20H14FN3OS
- Molecular weight
- 363.4080632
Names & synonyms
3-cyano-2-{[3-(4-fluorophenyl)-3-oxopropyl]sulfanyl}-3',6-bipyridineAKOS004114309ST51062613AM-807/433674152-[3-(4-fluorophenyl)-3-oxopropyl]sulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile2-[3-(4-fluorophenyl)-3-oxopropylthio]-6-(3-pyridyl)pyridine-3-carbonitrile
Database identifiers
- CAS
944769-52-2- PubChem CID
- 16044327
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 514
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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