2,5-Dichloro-4,6-dimethylpyridine-3-carbonitrile - CAS 91591-63-8
Catalog: |
BB040243 |
Product Name: |
2,5-Dichloro-4,6-dimethylpyridine-3-carbonitrile |
CAS: |
91591-63-8 |
Synonyms: |
2,5-dichloro-4,6-dimethyl-3-pyridinecarbonitrile; 2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile |
IUPAC Name: | 2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile |
Description: | 2,5-Dichloro-4,6-dimethylpyridine-3-carbonitrile (CAS# 91591-63-8) is a potent and brain penetrant compound that is active in a preclinical model of schizophrenia. |
Molecular Weight: | 201.05 |
Molecular Formula: | C8H6Cl2N2 |
Canonical SMILES: | CC1=C(C(=NC(=C1Cl)C)Cl)C#N |
InChI: | InChI=1S/C8H6Cl2N2/c1-4-6(3-11)8(10)12-5(2)7(4)9/h1-2H3 |
InChI Key: | UCGWYTUBYASPFG-UHFFFAOYSA-N |
Boiling Point: | 304.6 °C at 760 mmHg |
Density: | 1.36 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00052631 |
LogP: | 2.87688 |
Publication Number | Title | Priority Date |
CN-113292489-A | Preparation method of dichlorodialkyl nicotinonitrile | 20210616 |
WO-2021007477-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 20190711 |
WO-2020160213-A1 | Heteroarylmethylene derivatives as dna polymerase theta inhibitors | 20190131 |
WO-2020160134-A1 | Acetamido derivatives as dna polymerase theta inhibitors | 20190130 |
US-2020140411-A1 | 2-amino-n-heteroaryl-nicotinamides as nav1.8 inhibitors | 20181102 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.9908036 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.9908036 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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Pyridines
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