Methyl 5-Bromo-2-hydroxyisonicotinate - CAS 913836-17-6
Catalog: |
BB040158 |
Product Name: |
Methyl 5-Bromo-2-hydroxyisonicotinate |
CAS: |
913836-17-6 |
Synonyms: |
5-bromo-2-oxo-1H-pyridine-4-carboxylic acid methyl ester; methyl 5-bromo-2-oxo-1H-pyridine-4-carboxylate |
IUPAC Name: | methyl 5-bromo-2-oxo-1H-pyridine-4-carboxylate |
Description: | Methyl 5-Bromo-2-hydroxyisonicotinate (CAS# 913836-17-6) is a useful research chemical. |
Molecular Weight: | 232.03 |
Molecular Formula: | C7H6BrNO3 |
Canonical SMILES: | COC(=O)C1=CC(=O)NC=C1Br |
InChI: | InChI=1S/C7H6BrNO3/c1-12-7(11)4-2-6(10)9-3-5(4)8/h2-3H,1H3,(H,9,10) |
InChI Key: | XOMMLGBSSAVOET-UHFFFAOYSA-N |
Boiling Point: | 400.9 °C at 760 mmHg |
Density: | 1.716 g/cm3 |
MDL: | MFCD09027265 |
LogP: | 1.33630 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021151062-A1 | Heterocyclic compounds and uses thereof | 20200124 |
WO-2021127071-A1 | Bicyclic heterocycle compounds methods of use thereof for the treatment of herpes viruses | 20191218 |
EP-3789378-A1 | Piperidines or piperidones substituted with urea and heteroaryl | 20190906 |
WO-2021026672-A1 | Heterocyclic wdr5 inhibitors as anti-cancer compounds | 20190809 |
WO-2021028806-A1 | Heterocyclic wdr5 inhibitors as anti-cancer compounds | 20190809 |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.95311 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.95311 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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