4-Bromo-1-methylpyridin-2(1H)-one - CAS 214342-63-9
Catalog: |
BB016851 |
Product Name: |
4-Bromo-1-methylpyridin-2(1H)-one |
CAS: |
214342-63-9 |
Synonyms: |
4-bromo-1-methyl-2-pyridinone; 4-bromo-1-methylpyridin-2-one |
IUPAC Name: | 4-bromo-1-methylpyridin-2-one |
Description: | 4-Bromo-1-methylpyridin-2(1H)-one (CAS# 214342-63-9) is a useful research chemical. |
Molecular Weight: | 188.02 |
Molecular Formula: | C6H6BrNO |
Canonical SMILES: | CN1C=CC(=CC1=O)Br |
InChI: | InChI=1S/C6H6BrNO/c1-8-3-2-5(7)4-6(8)9/h2-4H,1H3 |
InChI Key: | YFOQSLIPUHGGQE-UHFFFAOYSA-N |
Boiling Point: | 258.1 °C at 760 mmHg |
Density: | 1.664 g/cm3 |
MDL: | MFCD11226870 |
LogP: | 1.14780 |
GHS Hazard Statement: | H302 (66.67%): 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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021071806-A1 | Arylmethylene heterocyclic compounds as kv1.3 potassium shaker channel blockers | 20191007 |
WO-2021067657-A1 | Substituted carbazole compounds | 20191004 |
US-2021052586-A1 | Compounds and methods for treating oxalate-related diseases | 20190822 |
WO-2021035196-A1 | Compounds and methods for treating oxalate-related diseases | 20190822 |
WO-2021016333-A1 | Aryl sulfonamides as small molecule stat3 inhibitors | 20190722 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.96328 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Pyridines
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