5-Bromo-1-methylpyridin-2(1H)-one - CAS 81971-39-3
Catalog: |
BB036735 |
Product Name: |
5-Bromo-1-methylpyridin-2(1H)-one |
CAS: |
81971-39-3 |
Synonyms: |
5-bromo-1-methyl-2-pyridinone; 5-bromo-1-methylpyridin-2-one |
IUPAC Name: | 5-bromo-1-methylpyridin-2-one |
Description: | 5-Bromo-1-methylpyridin-2(1H)-one (CAS# 81971-39-3) is a useful research chemical. |
Molecular Weight: | 188.02 |
Molecular Formula: | C6H6BrNO |
Canonical SMILES: | CN1C=C(C=CC1=O)Br |
InChI: | InChI=1S/C6H6BrNO/c1-8-4-5(7)2-3-6(8)9/h2-4H,1H3 |
InChI Key: | HHVFVHIUOMMWRN-UHFFFAOYSA-N |
MDL: | MFCD09972188 |
LogP: | 1.14780 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, 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 |
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-2020247418-A1 | Compounds for the treatment of kinase-dependent disorders | 20190604 |
EP-3628669-A1 | Novel compounds as nadph oxidase inhibitors | 20180928 |
TW-201946629-A | MAT2A heterobicyclic inhibitor and method for treating cancer | 20180330 |
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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