3-(4-Fluorophenyl)-3-oxo-2-(4-pyridinyl)propanenitrile - CAS 148671-42-5
Catalog: |
BB010332 |
Product Name: |
3-(4-Fluorophenyl)-3-oxo-2-(4-pyridinyl)propanenitrile |
CAS: |
148671-42-5 |
Synonyms: |
3-(4-fluorophenyl)-3-oxo-2-pyridin-4-ylpropanenitrile; 3-(4-fluorophenyl)-3-oxo-2-pyridin-4-ylpropanenitrile |
IUPAC Name: | 3-(4-fluorophenyl)-3-oxo-2-pyridin-4-ylpropanenitrile |
Description: | 3-(4-Fluorophenyl)-3-oxo-2-(4-pyridinyl)propanenitrile (CAS# 148671-42-5 ) is a useful research chemical. |
Molecular Weight: | 240.23 |
Molecular Formula: | C14H9FN2O |
Canonical SMILES: | C1=CC(=CC=C1C(=O)C(C#N)C2=CC=NC=C2)F |
InChI: | InChI=1S/C14H9FN2O/c15-12-3-1-11(2-4-12)14(18)13(9-16)10-5-7-17-8-6-10/h1-8,13H |
InChI Key: | CLZJQEOIICYYMR-UHFFFAOYSA-N |
LogP: | 2.71078 |
Publication Number | Title | Priority Date |
EP-3091982-A1 | Organic compounds | 20140109 |
EP-3091982-B1 | Organic compounds | 20140109 |
JP-2017502069-A | Organic compounds | 20140109 |
JP-6542236-B2 | Organic compound | 20140109 |
US-2016326179-A1 | Organic compounds | 20140109 |
Complexity: | 335 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.06989108 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.06989108 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 53.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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