6-Fluoroindole-5-carbonitrile - CAS 1427358-21-1
Catalog: |
BB009406 |
Product Name: |
6-Fluoroindole-5-carbonitrile |
CAS: |
1427358-21-1 |
Synonyms: |
6-fluoro-1H-indole-5-carbonitrile; 6-fluoro-1H-indole-5-carbonitrile |
IUPAC Name: | 6-fluoro-1H-indole-5-carbonitrile |
Description: | 6-Fluoroindole-5-carbonitrile (CAS# 1427358-21-1 ) is a useful research chemical. |
Molecular Weight: | 160.15 |
Molecular Formula: | C9H5FN2 |
Canonical SMILES: | C1=CNC2=C1C=C(C(=C2)F)C#N |
InChI: | InChI=1S/C9H5FN2/c10-8-4-9-6(1-2-12-9)3-7(8)5-11/h1-4,12H |
InChI Key: | HITOEBXXXWHQOR-UHFFFAOYSA-N |
MDL: | MFCD23706318 |
LogP: | 2.17868 |
Publication Number | Title | Priority Date |
CN-113015526-A | Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof | 20180919 |
CN-111032641-A | Substituted 5-cyanoindole compounds and uses thereof | 20170619 |
TW-201904942-A | Substituted 5-cyanoguanidine compound and its use | 20170619 |
US-10604502-B2 | Substituted 5-cyanoindole compounds and uses thereof | 20170619 |
US-2019023684-A1 | Substituted 5-cyanoindole compounds and uses thereof | 20170619 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.04367633 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.04367633 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 39.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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