5-Bromo-2-hydroxy-4-methylpyridine - CAS 164513-38-6
Catalog: |
BB012113 |
Product Name: |
5-Bromo-2-hydroxy-4-methylpyridine |
CAS: |
164513-38-6 |
Synonyms: |
5-bromo-4-methyl-1H-pyridin-2-one |
IUPAC Name: | 5-bromo-4-methyl-1H-pyridin-2-one |
Description: | 5-Bromo-2-hydroxy-4-methylpyridine (CAS# 164513-38-6) is a useful research chemical. |
Molecular Weight: | 188.02 |
Molecular Formula: | C6H6BrNO |
Canonical SMILES: | CC1=CC(=O)NC=C1Br |
InChI: | InChI=1S/C6H6BrNO/c1-4-2-6(9)8-3-5(4)7/h2-3H,1H3,(H,8,9) |
InChI Key: | BYGNXKDNIFHZHQ-UHFFFAOYSA-N |
Boiling Point: | 291.8 ℃ at 760 mmHg |
Density: | 1.622 g/cm3 |
MDL: | MFCD03427664 |
LogP: | 1.85810 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, 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-2021076890-A1 | INHIBITING HUMAN INTEGRIN α4β7 | 20191016 |
WO-2021076902-A1 | INHIBITING HUMAN INTEGRIN α 4 β 7 | 20191016 |
US-11104661-B1 | Inhibiting human integrin (α-4) (β-7) | 20191016 |
WO-2019173790-A1 | Pyridinone- and pyridazinone-based compounds and medical uses thereof | 20180309 |
US-2020407339-A1 | Pyridinone- and pyridazinone-based compounds and uses thereof | 20180309 |
Complexity: | 205 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.96328 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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