2-(Boc-amino)-5-cyanopyridine - CAS 902837-44-9
Catalog: |
BB039808 |
Product Name: |
2-(Boc-amino)-5-cyanopyridine |
CAS: |
902837-44-9 |
Synonyms: |
N-(5-cyano-2-pyridinyl)carbamic acid tert-butyl ester; tert-butyl N-(5-cyanopyridin-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(5-cyanopyridin-2-yl)carbamate |
Description: | 2-(Boc-amino)-5-cyanopyridine (CAS# 902837-44-9 ) is a useful research chemical. |
Molecular Weight: | 219.24 |
Molecular Formula: | C11H13N3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=NC=C(C=C1)C#N |
InChI: | InChI=1S/C11H13N3O2/c1-11(2,3)16-10(15)14-9-5-4-8(6-12)7-13-9/h4-5,7H,1-3H3,(H,13,14,15) |
InChI Key: | JDQQNZYKHZVLAM-UHFFFAOYSA-N |
LogP: | 1.72218 |
Publication Number | Title | Priority Date |
EP-3342772-A1 | Heterocyclic compound | 20150825 |
US-10406146-B2 | Heterocyclic compound | 20150825 |
US-2018263967-A1 | Heterocyclic compound | 20150825 |
AU-2014373735-A1 | Therapeutic inhibitory compounds | 20131230 |
AU-2014373735-B2 | Therapeutic inhibitory compounds | 20131230 |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.100776666 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.100776666 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 75 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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