2-Chloro-4-methoxypyrimidine-5-carbonitrile - CAS 1106295-93-5
Catalog: |
BB002654 |
Product Name: |
2-Chloro-4-methoxypyrimidine-5-carbonitrile |
CAS: |
1106295-93-5 |
Synonyms: |
2-chloro-4-methoxy-5-pyrimidinecarbonitrile; 2-chloro-4-methoxypyrimidine-5-carbonitrile |
IUPAC Name: | 2-chloro-4-methoxypyrimidine-5-carbonitrile |
Description: | 2-Chloro-4-methoxypyrimidine-5-carbonitrile (CAS# 1106295-93-5) is a useful research chemical. |
Molecular Weight: | 169.57 |
Molecular Formula: | C6H4ClN3O |
Canonical SMILES: | COC1=NC(=NC=C1C#N)Cl |
InChI: | InChI=1S/C6H4ClN3O/c1-11-5-4(2-8)3-9-6(7)10-5/h3H,1H3 |
InChI Key: | YIGFAXAWUVBGGI-UHFFFAOYSA-N |
MDL: | MFCD16250650 |
LogP: | 1.01028 |
Publication Number | Title | Priority Date |
CN-110452179-A | A kind of synthetic method of 2- chloro-4-methoxy -5- cyanopyrimidine | 20190625 |
CN-110372601-A | A kind of preparation method of the chloro- 6- methylpyrimidine of 4- | 20190624 |
US-10894788-B2 | Inhibitors of cyclin-dependent kinases | 20180629 |
US-2021130340-A1 | Inhibitors of cyclin-dependent kinases | 20180629 |
CA-3065309-A1 | Substituted nitrogen containing compounds | 20170601 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0042895 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0042895 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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