3-Isoquinolinecarbonitrile - CAS 26947-41-1
Catalog: |
BB019423 |
Product Name: |
3-Isoquinolinecarbonitrile |
CAS: |
26947-41-1 |
Synonyms: |
isoquinoline-3-carbonitrile |
IUPAC Name: | isoquinoline-3-carbonitrile |
Description: | 3-Isoquinolinecarbonitrile (CAS# 26947-41-1) is a useful research chemical compound. |
Molecular Weight: | 154.17 |
Molecular Formula: | C10H6N2 |
Canonical SMILES: | C1=CC=C2C=NC(=CC2=C1)C#N |
InChI: | InChI=1S/C10H6N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H |
InChI Key: | GXXBVBVNGMCFIU-UHFFFAOYSA-N |
Boiling Point: | 348.9 °C at 760 mmHg |
Melting Point: | 126-128 °C |
Purity: | 97 % |
Density: | 1.21 g/cm3 |
Appearance: | White to yellow powder |
MDL: | MFCD00075136 |
LogP: | 2.10648 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021194914-A1 | Substituted oxoisoindoline compounds for the treatment of cancer | 20200323 |
CN-111217811-A | Fused tricyclic compound and application thereof in medicines | 20181126 |
US-2019308978-A1 | Imidazopiperazinone inhibitors of transcription activating proteins | 20180406 |
WO-2019195846-A1 | Imidazopiperazinone inhibitors of transcription activating proteins | 20180406 |
US-10899769-B2 | Imidazopiperazinone inhibitors of transcription activating proteins | 20180406 |
PMID | Publication Date | Title | Journal |
17125248 | 20061130 | Design and synthesis of novel isoquinoline-3-nitriles as orally bioavailable Kv1.5 antagonists for the treatment of atrial fibrillation | Journal of medicinal chemistry |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.053098200 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.053098200 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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