6-chloro-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile - CAS 1935287-10-7
Catalog: |
BB014976 |
Product Name: |
6-chloro-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile |
CAS: |
1935287-10-7 |
Synonyms: |
6-chloro-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile; 6-chloro-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile |
IUPAC Name: | 6-chloro-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile |
Description: | 6-chloro-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile (CAS# 1935287-10-7 ) is a useful research chemical. |
Molecular Weight: | 178.579 |
Molecular Formula: | C7H3ClN4 |
Canonical SMILES: | C1=CC(=NC2=NNC(=C21)C#N)Cl |
InChI: | InChI=1S/C7H3ClN4/c8-6-2-1-4-5(3-9)11-12-7(4)10-6/h1-2H,(H,10,11,12) |
InChI Key: | FRCUAOOXSYSEOS-UHFFFAOYSA-N |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.0046238 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.0046238 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 65.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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