6-((4-Oxocyclohexyl)oxy)nicotinonitrile

HCID 18445310
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Basic information

Standard SMILES
N#Cc1ccc(OC2CCC(=O)CC2)nc1
InChIKey
ZYDNCRKSUYJWRN-UHFFFAOYSA-N
Molecular formula
C12H12N2O2
Average molar mass
216.24 g/mol
Monoisotopic mass
216.08987763

Names & identifiers

Preferred name
6-((4-Oxocyclohexyl)oxy)nicotinonitrile
IUPAC
6-(4-oxocyclohexyl)oxypyridine-3-carbonitrile

Names & synonyms

6-((4-oxocyclohexyl)oxy)nicotinonitrile6-(4-Oxo-cyclohexyloxy)-nicotinonitrile857048-62-5SCHEMBL5529166ZYDNCRKSUYJWRN-UHFFFAOYSA-NAKOS026715622F2147-1977

Database identifiers

PubChem CID
18445310

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
63 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16

Related reactions

2 records
New reaction record

Compound notes

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