2,5-Pyridinediacetonitrile - CAS 46126-83-4
Catalog: |
BB057945 |
Product Name: |
2,5-Pyridinediacetonitrile |
CAS: |
46126-83-4 |
Synonyms: |
2,5-pyridinediacetonitrile; 2-[6-(cyanomethyl)pyridin-3-yl]acetonitrile; 2,2'-(Pyridine-2,5-diyl)diacetonitrile; 2-[5-(cyanomethyl)pyridin-2-yl]acetonitrile |
IUPAC Name: | 2-[6-(cyanomethyl)pyridin-3-yl]acetonitrile |
Description: | 2,5-Pyridinediacetonitrile (cas# 46126-83-4) is a compound useful in organic synthesis. |
Molecular Weight: | 157.17 |
Molecular Formula: | C9H7N3 |
Canonical SMILES: | C1=CC(=NC=C1CC#N)CC#N |
InChI: | InChI=1S/C9H7N3/c10-5-3-8-1-2-9(4-6-11)12-7-8/h1-2,7H,3-4H2 |
InChI Key: | QMTVTHRQZWBLQN-UHFFFAOYSA-N |
Appearance: | Orange Solid |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.063997236 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.063997236 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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