(2-Bromo-pyridin-3-yl)-carbamic acid tert-butyl ester - CAS 116026-98-3
Catalog: |
BB003692 |
Product Name: |
(2-Bromo-pyridin-3-yl)-carbamic acid tert-butyl ester |
CAS: |
116026-98-3 |
Synonyms: |
tert-butyl N-(2-bromopyridin-3-yl)carbamate |
IUPAC Name: | tert-butyl N-(2-bromopyridin-3-yl)carbamate |
Description: | (2-Bromo-pyridin-3-yl)-carbamic acid tert-butyl ester (CAS# 116026-98-3) is a useful research chemical. |
Molecular Weight: | 273.13 |
Molecular Formula: | C10H13BrN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(N=CC=C1)Br |
InChI: | InChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-7-5-4-6-12-8(7)11/h4-6H,1-3H3,(H,13,14) |
InChI Key: | QYWNZOFKKFIZAL-UHFFFAOYSA-N |
Boiling Point: | 298.9 °C at 760 mmHg |
Melting Point: | 84-85 °C |
Purity: | 95 % |
Density: | 1.453 g/cm3 |
Appearance: | White to off-white powder |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD07367911 |
LogP: | 3.26410 |
Publication Number | Title | Priority Date |
CN-112375032-A | Synthetic method of 3-aminopyridine formaldehyde | 20200901 |
WO-2020148325-A1 | Neutral lxr modulators | 20190115 |
US-2020190045-A1 | Ferroportin inhibitors and methods of use | 20181213 |
WO-2020123850-A1 | Ferroportin inhibitors and methods of use | 20181213 |
EP-3894416-A1 | Ferroportin inhibitors and methods of use | 20181213 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.01604 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.01604 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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