Basic information
- CAS
848498-81-7- Standard SMILES
N#Cc1cc(Cl)nc(N2CCC(O)CC2)c1- InChIKey
SNZCUVMQKZKOPM-UHFFFAOYSA-N- Molecular formula
- C11H12ClN3O
- Average molar mass
- 237.68 g/mol
- Monoisotopic mass
- 237.06688968
Names & identifiers
- Preferred name
- 2-Chloro-6-(4-hydroxypiperidin-1-yl)isonicotinonitrile
- IUPAC
- 2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carbonitrile
Names & synonyms
SCHEMBL3282301SNZCUVMQKZKOPM-UHFFFAOYSA-NDTXSID901189377AKOS0213945312-Chloro-6-(4-hydroxypiperidin-1-yl)isonicotinonitrile2-Chloro-6-(4-hydroxy-1-piperidinyl)-4-pyridinecarbonitrile2-chloro-6-(4-hydroxypiperidin-1-yl)pyridine-4-carbonitrile848498-81-7
Database identifiers
- CAS
848498-81-7- PubChem CID
- 83073403
- DTXSID
DTXSID901189377
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
Related reactions
6 records
Compound notes
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