7-Chlorothieno[3,2-b]pyridine-6-carbonitrile - CAS 700844-09-3
Catalog: |
BB069737 |
Product Name: |
7-Chlorothieno[3,2-b]pyridine-6-carbonitrile |
CAS: |
700844-09-3 |
Synonyms: |
7-Chlorothieno[3,2-b]pyridine-6-carbonitrile; Thieno[3,2-b]pyridine-6-carbonitrile, 7-chloro- |
IUPAC Name: | 7-chlorothieno[3,2-b]pyridine-6-carbonitrile |
Description: | 7-Chlorothieno[3,2-b]pyridine-6-carbonitrile |
Molecular Weight: | 194.64 |
Molecular Formula: | C8H3ClN2S |
Canonical SMILES: | C1=CSC2=C(C(=CN=C21)C#N)Cl |
InChI: | InChI=1S/C8H3ClN2S/c9-7-5(3-10)4-11-6-1-2-12-8(6)7/h1-2,4H |
InChI Key: | PQNQDMVDUXLEQW-UHFFFAOYSA-N |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.970547 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.970547 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 64.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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