2-(Imidazol-1-yl)-3-cyanopyridine - CAS 94448-88-1
Catalog: |
BB063659 |
Product Name: |
2-(Imidazol-1-yl)-3-cyanopyridine |
CAS: |
94448-88-1 |
Synonyms: |
2-(1H-imidazol-1-yl)nicotinonitrile; 2-(IMIDAZOL-1-YL)-3-CYANOPYRIDINE; 2-imidazol-1-ylpyridine-3-carbonitrile; 2-(1H-Imidazol-1-yl)pyridine-3-carbonitrile; 3-cyano-2-(1-imidazolyl)pyridine |
IUPAC Name: | 2-imidazol-1-ylpyridine-3-carbonitrile |
Description: | 2-(Imidazol-1-yl)-3-cyanopyridine |
Molecular Weight: | 170.17 |
Molecular Formula: | C9H6N4 |
Canonical SMILES: | C1=CC(=C(N=C1)N2C=CN=C2)C#N |
InChI: | InChI=1S/C9H6N4/c10-6-8-2-1-3-12-9(8)13-5-4-11-7-13/h1-5,7H |
InChI Key: | WTCYHIRTEOPQOQ-UHFFFAOYSA-N |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.059246208 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.059246208 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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