5-Formyl-4-methylindole-2-carbonitrile - CAS 1857296-22-0
Catalog: |
BB014243 |
Product Name: |
5-Formyl-4-methylindole-2-carbonitrile |
CAS: |
1857296-22-0 |
Synonyms: |
5-formyl-4-methyl-1H-indole-2-carbonitrile; 5-formyl-4-methyl-1H-indole-2-carbonitrile |
IUPAC Name: | 5-formyl-4-methyl-1H-indole-2-carbonitrile |
Description: | 5-Formyl-4-methylindole-2-carbonitrile (CAS# 1857296-22-0 ) is a useful research chemical. |
Molecular Weight: | 184.19 |
Molecular Formula: | C11H8N2O |
Canonical SMILES: | CC1=C(C=CC2=C1C=C(N2)C#N)C=O |
InChI: | InChI=1S/C11H8N2O/c1-7-8(6-14)2-3-11-10(7)4-9(5-12)13-11/h2-4,6,13H,1H3 |
InChI Key: | WXKSWTXSZDGHGT-UHFFFAOYSA-N |
LogP: | 2.16048 |
Publication Number | Title | Priority Date |
WO-2020116662-A1 | Cycloalkane-1,3-diamine derivative | 20181206 |
EP-3892278-A1 | Cycloalkane-1,3-diamine derivative | 20181206 |
KR-20210100612-A | Cycloalkane-1,3-diamine derivatives | 20181206 |
US-2021269454-A1 | Cycloalkane-1,3-diamine derivative | 20181206 |
WO-2020069027-A1 | Treatment of hematological malignancies with inhibitors of menin | 20180926 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.063662883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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