4,6-Dimethyl-2-phenoxy-nicotinonitrile

HCID 946983
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Basic information

Standard SMILES
Cc1cc(C)c(C#N)c(Oc2ccccc2)n1
InChIKey
DNYKOSXWIKBDLH-UHFFFAOYSA-N
Molecular formula
C14H12N2O
Average molar mass
224.26 g/mol
Monoisotopic mass
224.09496301

Names & identifiers

Preferred name
4,6-Dimethyl-2-phenoxy-nicotinonitrile
IUPAC
4,6-dimethyl-2-phenoxypyridine-3-carbonitrile

Names & synonyms

4,6-Dimethyl-2-phenoxy-nicotinonitrileMLS0005540954,6-dimethyl-2-phenoxypyridine-3-carbonitrileSCHEMBL4074705CHEMBL1440390DNYKOSXWIKBDLH-UHFFFAOYSA-NHMS2286N16STK5394464,6-dimethyl-2-phenoxynicotinonitrileAKOS005469482SMR000146412

Database identifiers

PubChem CID
946983
ChEMBL
CHEMBL1440390

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
45.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Related reactions

2 records
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Compound notes

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