2-(Benzyloxy)isonicotinonitrile - CAS 501378-52-5
Catalog: |
BB026931 |
Product Name: |
2-(Benzyloxy)isonicotinonitrile |
CAS: |
501378-52-5 |
Synonyms: |
2-phenylmethoxy-4-pyridinecarbonitrile; 2-phenylmethoxypyridine-4-carbonitrile |
IUPAC Name: | 2-phenylmethoxypyridine-4-carbonitrile |
Description: | 2-(Benzyloxy)isonicotinonitrile (CAS# 501378-52-5) is a useful research chemical. |
Molecular Weight: | 210.23 |
Molecular Formula: | C13H10N2O |
Canonical SMILES: | C1=CC=C(C=C1)COC2=NC=CC(=C2)C#N |
InChI: | InChI=1S/C13H10N2O/c14-9-12-6-7-15-13(8-12)16-10-11-4-2-1-3-5-11/h1-8H,10H2 |
InChI Key: | KYMIUUVPYRKLMC-UHFFFAOYSA-N |
MDL: | MFCD09928045 |
LogP: | 2.53228 |
Publication Number | Title | Priority Date |
AU-2005238386-A1 | Heterocyclic amide compound and use thereof as an MMP-13 inhibitor | 20040430 |
CA-2564085-A1 | Heterocyclic amide compound and use thereof as an mmp-13 inhibitor | 20040430 |
CA-2564085-C | Heterocyclic amide compound and use thereof as an mmp-13 inhibitor | 20040430 |
EP-1740551-A1 | Heterocyclic amide compound and use thereof as an mmp-13 inhibitor | 20040430 |
EP-1740551-B1 | Heterocyclic amide compound and use thereof as an mmp-13 inhibitor | 20040430 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.079312947 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 45.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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Related Functional Groups
Pyridines
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