4,6-Dichloronicotinonitrile - CAS 166526-03-0
Catalog: |
BB012290 |
Product Name: |
4,6-Dichloronicotinonitrile |
CAS: |
166526-03-0 |
Synonyms: |
4,6-dichloro-3-pyridinecarbonitrile; 4,6-dichloropyridine-3-carbonitrile |
IUPAC Name: | 4,6-dichloropyridine-3-carbonitrile |
Description: | 4,6-Dichloronicotinonitrile (CAS# 166526-03-0) is a useful research chemical. |
Molecular Weight: | 173.00 |
Molecular Formula: | C6H2Cl2N2 |
Canonical SMILES: | C1=C(C(=CN=C1Cl)C#N)Cl |
InChI: | InChI=1S/C6H2Cl2N2/c7-5-1-6(8)10-3-4(5)2-9/h1,3H |
InChI Key: | VNRGFXKFARXGSX-UHFFFAOYSA-N |
Boiling Point: | 272.885 ℃ at 760 mmHg |
Density: | 1.5 g/cm3 |
MDL: | MFCD08276124 |
LogP: | 2.26008 |
Publication Number | Title | Priority Date |
CN-112574123-A | JNK inhibitors, pharmaceutical compositions and uses thereof | 20190930 |
WO-2021063207-A1 | Jnk inhibitor, and pharmaceutical composition and use thereof | 20190930 |
WO-2021026672-A1 | Heterocyclic wdr5 inhibitors as anti-cancer compounds | 20190809 |
WO-2021028806-A1 | Heterocyclic wdr5 inhibitors as anti-cancer compounds | 20190809 |
WO-2020083856-A1 | 5-azaindazole derivatives as adenosine receptor antagonists | 20181025 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.9595035 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.9595035 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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