2-Chloro-6-morpholino-4-(o-tolyl)nicotinonitrile - CAS 873443-68-6
Catalog: |
BB038391 |
Product Name: |
2-Chloro-6-morpholino-4-(o-tolyl)nicotinonitrile |
CAS: |
873443-68-6 |
Synonyms: |
2-chloro-4-(2-methylphenyl)-6-(4-morpholinyl)-3-pyridinecarbonitrile; 2-chloro-4-(2-methylphenyl)-6-morpholin-4-ylpyridine-3-carbonitrile |
IUPAC Name: | 2-chloro-4-(2-methylphenyl)-6-morpholin-4-ylpyridine-3-carbonitrile |
Description: | 2-Chloro-6-morpholino-4-(o-tolyl)nicotinonitrile (CAS# 873443-68-6 ) is a useful research chemical. |
Molecular Weight: | 313.78 |
Molecular Formula: | C17H16ClN3O |
Canonical SMILES: | CC1=CC=CC=C1C2=CC(=NC(=C2C#N)Cl)N3CCOCC3 |
InChI: | InChI=1S/C17H16ClN3O/c1-12-4-2-3-5-13(12)14-10-16(20-17(18)15(14)11-19)21-6-8-22-9-7-21/h2-5,10H,6-9H2,1H3 |
InChI Key: | QWLSLHLQSZFTHN-UHFFFAOYSA-N |
LogP: | 3.48368 |
Publication Number | Title | Priority Date |
CA-2572645-C | Process for preparing carboxamide derivatives used as intermediates in the synthesis of nk-1 receptor antagonists | 20040706 |
EP-1776342-A1 | Process for preparing carboxamide pyridine derivatives used as intermediates in the synthesis of nk-1 receptor antagonists | 20040706 |
EP-1776342-B1 | Process for preparing carboxamide pyridine derivatives used as intermediates in the synthesis of nk-1 receptor antagonists | 20040706 |
ES-2359722-T3 | PROCESS OF OBTAINING PIRIDINE-CARBOXAMIDE DERIVATIVES AS INTERMEDIATE COMPOUNDS FOR THE SYNTHESIS OF ANTAGONISTS OF NK1 RECEPTORS. | 20040706 |
IL-180312-A | Process for preparing carboxamide pyridine derivatives used as intermediates in the synthesis of nk-1 receptor antagonists | 20040706 |
Complexity: | 417 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 313.0981898 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 313.0981898 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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