2-(5-Amino-2-pyridyl)-2-methylpropanenitrile - CAS 1226776-95-9
Catalog: |
BB005453 |
Product Name: |
2-(5-Amino-2-pyridyl)-2-methylpropanenitrile |
CAS: |
1226776-95-9 |
Synonyms: |
2-(5-amino-2-pyridinyl)-2-methylpropanenitrile; 2-(5-aminopyridin-2-yl)-2-methylpropanenitrile |
IUPAC Name: | 2-(5-aminopyridin-2-yl)-2-methylpropanenitrile |
Description: | 2-(5-Amino-2-pyridyl)-2-methylpropanenitrile (CAS# 1226776-95-9) is a useful research chemical. |
Molecular Weight: | 161.20 |
Molecular Formula: | C9H11N3 |
Canonical SMILES: | CC(C)(C#N)C1=NC=C(C=C1)N |
InChI: | InChI=1S/C9H11N3/c1-9(2,6-10)8-4-3-7(11)5-12-8/h3-5H,11H2,1-2H3 |
InChI Key: | ONYGTHTZAUUIJI-UHFFFAOYSA-N |
Boiling Point: | 345.922 ℃ at 760 mmHg |
Density: | 1.112 g/cm3 |
MDL: | MFCD16495866 |
LogP: | 2.04618 |
Publication Number | Title | Priority Date |
AU-2017232610-A1 | Compounds and methods for kinase modulation and indications therefore | 20160316 |
EP-3430005-A1 | Compounds and methods for kinase modulation and indications therefore | 20160316 |
JP-2019512505-A | Compounds and methods for kinase modulation and its indication | 20160316 |
US-10160747-B2 | Compounds and methods for kinase modulation, and indications therefor | 20160316 |
US-2017267660-A1 | Compounds and methods for kinase modulation, and indications therefor | 20160316 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.095297364 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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