4-Pyridinecarbonitrile
PubChem CID: 7506
Connections displayed (default: 10).
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| Compound Synonyms | 4-CYANOPYRIDINE, Isonicotinonitrile, 100-48-1, 4-Pyridinecarbonitrile, pyridine-4-carbonitrile, Isonicotinic acid nitrile, 4-Pyridinenitrile, gamma-Cyanopyridine, p-cyanopyridine, .gamma.-Cyanopyridine, DTXSID9041528, EINECS 202-856-2, MFCD00006417, NSC 60681, NSC-60681, BY3226D010, AI3-19232, DTXCID7021528, GPHQHTOMRSGBNZ-UHFFFAOYSA-, ISONIAZID IMPURITY C (EP), pyridine, 4-cyano-, 4-Cyano pyridine, 4Pyridinenitrile, gammaCyanopyridine, UNII-BY3226D010, 4Pyridinecarbonitrile, ISONIAZID IMPURITY C, 4-Pyridinecarbonitrile, 98%, SCHEMBL151611, CHEMBL504918, BCP30880, NSC60681, Tox21_300741, BDBM50622833, STK870425, AKOS000119008, FC54870, SB52238, Fampridine Impurity 2 (4-Cyanopyridine), NCGC00248155-01, NCGC00254647-01, 4-Pyridinecarbonitrile, Isonicotinonitrile, CAS-100-48-1, DS-16750, DB-016063, CS-0015782, NS00022985, EN300-18319, A16206, C02234, D77982, 4-Pyridinecarbonitrile, purum, >=96.0% (GC), AC-907/25014099, Q27274960, Z57899720, F0001-0018, 202-856-2 |
|---|---|
| Topological Polar Surface Area | 36.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 105.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pyridine-4-carbonitrile |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C6H4N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GPHQHTOMRSGBNZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -0.18 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.665 |
| Compound Name | 4-Pyridinecarbonitrile |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 104.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 104.037 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 104.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3302943999999997 |
| Inchi | InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H |
| Smiles | C1=CN=CC=C1C#N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
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