bmse000622 3-pyridinecarbonitrile at BMRB

3-pyridinecarbonitrile

3-Pyridinenitrile; 3-Pyridinecarbonitrile; Nicotinonitrile; Nicotinic acid nitrile; 3-Cyanopyridine; 3-Pyridylcarbonitrile

Molecular Formula: C6 H4 N2
Natural Isotopic Abundance Mass: 104.10936
Mono-Isotopic Molecular Masses: C12N14: 104.0374481388; C13N14: 110.0575771656; C12N15: 106.0315179252; C13N15: 112.051646952

3-pyridinecarbonitrile

InCHi String:
InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H

canonical and isomeric SMILES:
C1=CC(=CN=C1)C#N

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
pyridine-3-carbonitrile

PUBCHEM iupac TRADITIONAL NAME
nicotinonitrile

PUBCHEM iupac CAS NAME
3-pyridinecarbonitrile

PubChem Substance (SID):   111677765   80851   24893001
PubChem Compound (CID):   79
KEGG: Compound ID   C94807_ALDRICH
CAS Registry IDs:   100-54-9
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich C94807_ALDRICH   DTP/NCI 17558   NIST 2836690254   MMCD cq_10475   MDL MFCD00006372

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.