6-Bromo-3-pyridineacetonitrile - CAS 144873-99-4
Catalog: |
BB009846 |
Product Name: |
6-Bromo-3-pyridineacetonitrile |
CAS: |
144873-99-4 |
Synonyms: |
2-(6-bromo-3-pyridinyl)acetonitrile; 2-(6-bromopyridin-3-yl)acetonitrile |
IUPAC Name: | 2-(6-bromopyridin-3-yl)acetonitrile |
Description: | 6-Bromo-3-pyridineacetonitrile (CAS# 144873-99-4) is a useful research chemical. |
Molecular Weight: | 197.03 |
Molecular Formula: | C7H5BrN2 |
Canonical SMILES: | C1=CC(=NC=C1CC#N)Br |
InChI: | InChI=1S/C7H5BrN2/c8-7-2-1-6(3-4-9)5-10-7/h1-2,5H,3H2 |
InChI Key: | CTBARTMXUVSCRR-UHFFFAOYSA-N |
Boiling Point: | 329.7 °C at 760 mmHg |
Density: | 1.575 g/cm3 |
MDL: | MFCD08706175 |
LogP: | 1.91018 |
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 |
WO-2021064189-A2 | Prostaglandin e2 (pge2) ep4 receptor antagonists | 20191002 |
US-2020325121-A1 | Glp-1r agonists and uses thereof | 20190412 |
WO-2020207474-A1 | Glp-1r agonists and uses thereof | 20190412 |
US-10954221-B2 | GLP-1R agonists and uses thereof | 20190412 |
US-2021179594-A1 | Glp-1r agonists and uses thereof | 20190412 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.96361 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.96361 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Related Functional Groups
Pyridines
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