Methyl 2-Phenylisonicotinate - CAS 4634-14-4
Catalog: |
BB026120 |
Product Name: |
Methyl 2-Phenylisonicotinate |
CAS: |
4634-14-4 |
Synonyms: |
2-phenyl-4-pyridinecarboxylic acid methyl ester; methyl 2-phenylpyridine-4-carboxylate |
IUPAC Name: | methyl 2-phenylpyridine-4-carboxylate |
Description: | Methyl 2-Phenylisonicotinate (CAS# 4634-14-4 ) is a useful research chemical. |
Molecular Weight: | 213.23 |
Molecular Formula: | C13H11NO2 |
Canonical SMILES: | COC(=O)C1=CC(=NC=C1)C2=CC=CC=C2 |
InChI: | InChI=1S/C13H11NO2/c1-16-13(15)11-7-8-14-12(9-11)10-5-3-2-4-6-10/h2-9H,1H3 |
InChI Key: | PKPOOQVXKJROPY-UHFFFAOYSA-N |
Boiling Point: | 354.8 ℃ at 760 mmHg |
Density: | 1.147 g/cm3 |
LogP: | 2.53520 |
Publication Number | Title | Priority Date |
CN-112300061-A | Preparation method of nitrogen-containing heterocyclic diaryl ketone compound | 20201006 |
CN-112048734-A | Regioselective electrochemical synthesis method of nitrogen-containing aromatic heterocyclic carboxylic acid | 20200911 |
CN-111902404-A | Therapeutic compounds and compositions | 20180207 |
AU-2010235236-A1 | Isoxazol-3(2H)-one analogs as therapeutic agents | 20090407 |
AU-2010235236-B2 | Isoxazol-3(2H)-one analogs as therapeutic agents | 20090407 |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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