2-Amino-5-fluoro-4-hydroxy-1-methyl-6-oxo-1,6-dihydropyridine-carbonitrile
Basic information
- Standard SMILES
CN1C(=O)C(F)=C(O)CC1(N)C#N- InChIKey
WEQPKQJIHCAEMP-UHFFFAOYSA-N- Molecular formula
- C7H8FN3O2
- Average molar mass
- 185.16 g/mol
- Monoisotopic mass
- 185.06005467
Names & identifiers
- Preferred name
- 2-Amino-5-fluoro-4-hydroxy-1-methyl-6-oxo-1,6-dihydropyridine-carbonitrile
- IUPAC
- 2-amino-5-fluoro-4-hydroxy-1-methyl-6-oxo-3H-pyridine-2-carbonitrile
Names & synonyms
SCHEMBL2361829WEQPKQJIHCAEMP-UHFFFAOYSA-N2-Amino-5-fluoro-4-hydroxy-1-methyl-6-oxo-1,6-dihydropyridine-carbonitrile
Database identifiers
- PubChem CID
- 67378693
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 343
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Related reactions
3 records
Compound notes
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