3-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile - CAS 1190318-95-6
Catalog: |
BB004391 |
Product Name: |
3-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile |
CAS: |
1190318-95-6 |
Synonyms: |
3-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile; 3-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile |
IUPAC Name: | 3-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile |
Description: | 3-chloro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile (CAS# 1190318-95-6 ) is a useful research chemical. |
Molecular Weight: | 177.591 |
Molecular Formula: | C8H4ClN3 |
Canonical SMILES: | C1=CC2=C(NC=C2Cl)N=C1C#N |
InChI: | InChI=1S/C8H4ClN3/c9-7-4-11-8-6(7)2-1-5(3-10)12-8/h1-2,4H,(H,11,12) |
InChI Key: | LIULOSFYQUUZHA-UHFFFAOYSA-N |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.0093748 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.0093748 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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