Basic information
- Standard SMILES
COCc1ccc(C#N)nc1- InChIKey
QUBWUAAHRRRRNW-UHFFFAOYSA-N- Molecular formula
- C8H8N2O
- Average molar mass
- 148.16 g/mol
Names & identifiers
- Preferred name
- 5-(Methoxymethyl)picolinonitrile
- IUPAC
- 5-(methoxymethyl)pyridine-2-carbonitrile
Names & synonyms
SCHEMBL1145962SCHEMBL1145965SCHEMBL11459675-(methoxymethyl)picolinonitrileQUBWUAAHRRRRNW-UHFFFAOYSA-NDB-1072011620981-22-7
Database identifiers
- PubChem CID
- 66920893
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Related reactions
1 records
Compound notes
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