5-Nitroindole-3-carbonitrile - CAS 7147-14-0
Catalog: |
BB034386 |
Product Name: |
5-Nitroindole-3-carbonitrile |
CAS: |
7147-14-0 |
Synonyms: |
5-nitro-1H-indole-3-carbonitrile; 5-nitro-1H-indole-3-carbonitrile |
IUPAC Name: | 5-nitro-1H-indole-3-carbonitrile |
Description: | 5-Nitroindole-3-carbonitrile (CAS# 7147-14-0) is a useful research chemical compound. |
Molecular Weight: | 187.15 |
Molecular Formula: | C9H5N3O2 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C#N |
InChI: | InChI=1S/C9H5N3O2/c10-4-6-5-11-9-2-1-7(12(13)14)3-8(6)9/h1-3,5,11H |
InChI Key: | AKLPDARNWZLNPV-UHFFFAOYSA-N |
Boiling Point: | 452.9 °C at 760 mmHg |
Density: | 1.48 g/cm3 |
MDL: | MFCD02090219 |
LogP: | 2.47098 |
Publication Number | Title | Priority Date |
CN-112778316-A | N- (indole-5-yl) bicyclic aromatic amide compound and preparation method and application thereof | 20210129 |
CN-111072634-A | 1-substituted-3-substituted-5-substituted amide-1H-indole compound and preparation method and application thereof | 20200103 |
AU-2013290054-A1 | Imidazotriazinecarbonitriles useful as kinase inhibitors | 20120713 |
CA-2878852-A1 | Imidazotriazinecarbonitriles useful as kinase inhibitors | 20120713 |
CN-104470925-A | Imidazotriazinecarbonitriles useful as kinase inhibitors | 20120713 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.038176411 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.038176411 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 85.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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