Basic information
- CAS
95014-10-1- Standard SMILES
Cc1[nH]c(=O)c(C#N)cc1C(=O)c1cccs1- InChIKey
MLNNBRFYXOBVRZ-UHFFFAOYSA-N- Molecular formula
- C12H8N2O2S
- Average molar mass
- 244.27 g/mol
- Monoisotopic mass
- 244.03064868
Names & identifiers
- Preferred name
- 6-Methyl-2-oxo-5-(thiophene-2-carbonyl)-1,2-dihydropyridine-3-carbonitrile
- IUPAC
- 6-methyl-2-oxo-5-(thiophene-2-carbonyl)-1H-pyridine-3-carbonitrile
Names & synonyms
95014-10-1SCHEMBL10810260DTXSID206036536-Methyl-2-oxo-5-(thiophene-2-carbonyl)-1,2-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
95014-10-1- PubChem CID
- 20212815
- DTXSID
DTXSID20603653
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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