2-Amino-5-bromo-nicotinonitrile - CAS 709652-82-4
Catalog: |
BB034278 |
Product Name: |
2-Amino-5-bromo-nicotinonitrile |
CAS: |
709652-82-4 |
Synonyms: |
2-amino-5-bromopyridine-3-carbonitrile |
IUPAC Name: | 2-amino-5-bromopyridine-3-carbonitrile |
Description: | 2-Amino-5-bromo-nicotinonitrile (CAS# 709652-82-4) is a useful research chemical compound. |
Molecular Weight: | 198.02 |
Molecular Formula: | C6H4BrN3 |
Canonical SMILES: | C1=C(C(=NC=C1Br)N)C#N |
InChI: | InChI=1S/C6H4BrN3/c7-5-1-4(2-8)6(9)10-3-5/h1,3H,(H2,9,10) |
InChI Key: | UJKZMLZIIIGCMI-UHFFFAOYSA-N |
Boiling Point: | 286.1 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.8 g/cm3 |
MDL: | MFCD08688591 |
LogP: | 1.87918 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021078999-A1 | Plasma kallikrein inhibitors and uses thereof | 20190918 |
WO-2021055621-A1 | Plasma kallikrein inhibitors and uses thereof | 20190918 |
US-2019284182-A1 | Inhibitors of plasma kallikrein and uses thereof | 20180313 |
WO-2019178129-A1 | Substituted imidazopyridines as inhibitors of plasma kallikrein and uses thereof | 20180313 |
AU-2019234670-A1 | Substituted imidazopyridines as inhibitors of plasma kallikrein and uses thereof | 20180313 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.95886 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.95886 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 62.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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