2,6-Dichloro-4-(o-tolyl)nicotinonitrile - CAS 873443-66-4
Catalog: |
BB038390 |
Product Name: |
2,6-Dichloro-4-(o-tolyl)nicotinonitrile |
CAS: |
873443-66-4 |
Synonyms: |
2,6-dichloro-4-(2-methylphenyl)-3-pyridinecarbonitrile; 2,6-dichloro-4-(2-methylphenyl)pyridine-3-carbonitrile |
IUPAC Name: | 2,6-dichloro-4-(2-methylphenyl)pyridine-3-carbonitrile |
Description: | 2,6-Dichloro-4-(o-tolyl)nicotinonitrile (CAS# 873443-66-4 ) is a useful research chemical. |
Molecular Weight: | 263.12 |
Molecular Formula: | C13H8Cl2N2 |
Canonical SMILES: | CC1=CC=CC=C1C2=CC(=NC(=C2C#N)Cl)Cl |
InChI: | InChI=1S/C13H8Cl2N2/c1-8-4-2-3-5-9(8)10-6-12(14)17-13(15)11(10)7-16/h2-6H,1H3 |
InChI Key: | HDFNZYMPHSNNQC-UHFFFAOYSA-N |
LogP: | 4.23548 |
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 |
JP-2008505859-A | Method for producing carboxamide derivative used as intermediate in synthesis of NK-1 receptor antagonist | 20040706 |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.0064537 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.0064537 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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