4-Methyl-3-pyrrolecarbonitrile - CAS 40167-38-2
Catalog: |
BB024345 |
Product Name: |
4-Methyl-3-pyrrolecarbonitrile |
CAS: |
40167-38-2 |
Synonyms: |
4-methyl-1H-pyrrole-3-carbonitrile; 4-methyl-1H-pyrrole-3-carbonitrile |
IUPAC Name: | 4-methyl-1H-pyrrole-3-carbonitrile |
Description: | 4-Methyl-3-pyrrolecarbonitrile (CAS# 40167-38-2) is a useful research chemical. |
Molecular Weight: | 106.13 |
Molecular Formula: | C6H6N2 |
Canonical SMILES: | CC1=CNC=C1C#N |
InChI: | InChI=1S/C6H6N2/c1-5-3-8-4-6(5)2-7/h3-4,8H,1H3 |
InChI Key: | XFDDOTKUCLKYAV-UHFFFAOYSA-N |
LogP: | 1.19478 |
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-2021077010-A1 | Bifunctional molecules containing an e3 ubiquitine ligase binding moiety linked to a bcl6 targeting moiety | 20191017 |
WO-2021067606-A1 | Brm targeting compounds and associated methods of use | 20191001 |
WO-2020041331-A1 | Proteolysis targeting chimeric (protac) compound with e3 ubiquitin ligase binding activity and targeting alpha-synuclein protein for treating neurodegenerative diseases | 20180820 |
WO-2020023851-A1 | Bifunctional substitued pyrimidines as modulators of fak proteolyse | 20180726 |
WO-2019195201-A1 | Brm targeting compounds and associated methods of use | 20180401 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 106.053098200 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 106.053098200 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 39.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Pyrroles
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