2,4-Dichloro-6-fluoroquinoline-3-carbonitrile - CAS 881313-89-9
Catalog: |
BB066571 |
Product Name: |
2,4-Dichloro-6-fluoroquinoline-3-carbonitrile |
CAS: |
881313-89-9 |
Synonyms: |
2,4-Dichloro-6-fluoro-3-quinolinecarbonitrile |
IUPAC Name: | 2,4-dichloro-6-fluoroquinoline-3-carbonitrile |
Description: | 2,4-Dichloro-6-fluoroquinoline-3-carbonitrile can be useful in the preparation of phenyl-substituted quinoline and quinazoline amino acid derivatives for treatment of diabetes. |
Molecular Weight: | 241.05 |
Molecular Formula: | C10H3Cl2FN2 |
Canonical SMILES: | C1=CC2=C(C=C1F)C(=C(C(=N2)Cl)C#N)Cl |
InChI: | InChI=1S/C10H3Cl2FN2/c11-9-6-3-5(13)1-2-8(6)15-10(12)7(9)4-14/h1-3H |
InChI Key: | GNNKGLQCSCJBCA-UHFFFAOYSA-N |
References: | Cantin, D., et al. PCT Int. Appl., 185 pp., WO 2006034512 (2006). |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.9657317 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.9657317 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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