| CID | 79 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 111 |
| pubchem_cactvs_hbond_acceptor | 2 |
| pubchem_cactvs_hbond_donor | 0 |
| pubchem_cactvs_rotatable_bond | 0 |
| pubchem_cactvs_subskeys | AAADcYBjAAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAAAAAAADADBGgQ8gJIIEACwBjBnRACigCAxAiAI2CA4ZJgIoOLAkZGEIAhggADIyA4QAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | pyridine-3-carbonitrile |
| pubchem_iupac_cas_name | 3-pyridinecarbonitrile |
| pubchem_iupac_systematic_name | pyridine-3-carbonitrile |
| pubchem_iupac_traditional_name | nicotinonitrile |
| pubchem_nist_inchi | InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 104.037448 |
| pubchem_molecular_formula | C6H4N2 |
| pubchem_molecular_weight | 104.10936 |
| pubchem_openeye_can_smiles | C1=CC(=CN=C1)C#N |
| pubchem_openeye_iso_smiles | C1=CC(=CN=C1)C#N |
| pubchem_cactvs_tpsa | 36.7 |
| pubchem_monoisotopic_weight | 104.037448 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 8 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 0 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 1 |
| pubchem_bondannotations | 1 6 8
1 7 8
3 4 8
3 6 8
4 5 8
5 7 8 |
