5-(Benzyloxy)nicotinonitrile

HCID 53850832

Notes Reactions

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Basic information

Standard SMILES: N#Cc1cncc(OCc2ccccc2)c1
InChIKey: PHIQPHGZMVOSKR-UHFFFAOYSA-N
Molecular formula: C13H10N2O
Average molar mass: 210.23 g/mol
Monoisotopic mass: 210.07931295

Names & identifiers

Preferred name: 5-(Benzyloxy)nicotinonitrile
IUPAC: 5-phenylmethoxypyridine-3-carbonitrile

Names & synonyms

5-(benzyloxy)nicotinonitrile5-(benzyloxy)pyridine-3-carbonitrile1400807-96-6SCHEMBL9479536SCHEMBL9479980SCHEMBL12458014PHIQPHGZMVOSKR-UHFFFAOYSA-NMFCD18905307SY397791DB-427020

Database identifiers

PubChem CID: 53850832

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 45.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 252

Related reactions

2 records

New reaction record

HRID 526372As productuspto-grants-2016_05

HRID 526373As reactantuspto-grants-2016_05

Compound notes

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