3-(Boc-amino)-2-bromo-6-chloropyridine - CAS 1227958-32-8
Catalog: |
BB005522 |
Product Name: |
3-(Boc-amino)-2-bromo-6-chloropyridine |
CAS: |
1227958-32-8 |
Synonyms: |
N-(2-bromo-6-chloro-3-pyridinyl)carbamic acid tert-butyl ester; tert-butyl N-(2-bromo-6-chloropyridin-3-yl)carbamate |
IUPAC Name: | tert-butyl N-(2-bromo-6-chloropyridin-3-yl)carbamate |
Description: | 3-(Boc-amino)-2-bromo-6-chloropyridine (CAS# 1227958-32-8) is used as a reactant in the industrial manufacture of an Akt kinase inhibitor. |
Molecular Weight: | 307.57 |
Molecular Formula: | C10H12BrClN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(N=C(C=C1)Cl)Br |
InChI: | InChI=1S/C10H12BrClN2O2/c1-10(2,3)16-9(15)13-6-4-5-7(12)14-8(6)11/h4-5H,1-3H3,(H,13,15) |
InChI Key: | ZFFFXKCZHWHRET-UHFFFAOYSA-N |
MDL: | MFCD20039978 |
LogP: | 3.91750 |
Publication Number | Title | Priority Date |
WO-2020239999-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
US-2021300918-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
CN-113038948-A | Heterocyclic compounds | 20181128 |
EP-3888652-A1 | Heterocyclic compound | 20181128 |
JP-WO2020111087-A1 | Heterocyclic compound | 20181128 |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.97707 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.97707 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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