5-Bromo-4-methylnicotinonitrile - CAS 890092-52-1
Catalog: |
BB039321 |
Product Name: |
5-Bromo-4-methylnicotinonitrile |
CAS: |
890092-52-1 |
Synonyms: |
5-bromo-4-methyl-3-pyridinecarbonitrile; 5-bromo-4-methylpyridine-3-carbonitrile |
IUPAC Name: | 5-bromo-4-methylpyridine-3-carbonitrile |
Description: | 5-Bromo-4-methylnicotinonitrile (CAS# 890092-52-1) is a useful research chemical. |
Molecular Weight: | 197.03 |
Molecular Formula: | C7H5BrN2 |
Canonical SMILES: | CC1=C(C=NC=C1C#N)Br |
InChI: | InChI=1S/C7H5BrN2/c1-5-6(2-9)3-10-4-7(5)8/h3-4H,1H3 |
InChI Key: | HVTPZRXPJRFYHD-UHFFFAOYSA-N |
LogP: | 2.02418 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2790511-A1 | Inhibitors of the renal outer medullary potassium channel | 20111216 |
EP-2790511-B1 | Inhibitors of the renal outer medullary potassium channel | 20111216 |
US-2014336177-A1 | Inhibitors of the renal outer medullary potassium channel | 20111216 |
US-9206199-B2 | Inhibitors of the renal outer medullary potassium channel | 20111216 |
WO-2013090271-A1 | Inhibitors of the renal outer medullary potassium channel | 20111216 |
Complexity: | 160 |
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: | 0 |
Topological Polar Surface Area: | 36.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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