Picolinic acid N-oxide - CAS 824-40-8
Catalog: |
BB036823 |
Product Name: |
Picolinic acid N-oxide |
CAS: |
824-40-8 |
Synonyms: |
1-oxidopyridin-1-ium-2-carboxylic acid |
IUPAC Name: | 1-oxidopyridin-1-ium-2-carboxylic acid |
Description: | Picolinic acid N-oxide (CAS# 824-40-8) is a useful research chemical. |
Molecular Weight: | 139.11 |
Molecular Formula: | C6H5NO3 |
Canonical SMILES: | C1=CC=[N+](C(=C1)C(=O)O)[O-] |
InChI: | InChI=1S/C6H5NO3/c8-6(9)5-3-1-2-4-7(5)10/h1-4H,(H,8,9) |
InChI Key: | FHYMLBVGNFVFBT-UHFFFAOYSA-N |
Boiling Point: | 469 °C at 760 mmHg |
Purity: | 97 % |
MDL: | MFCD00006198 |
LogP: | 0.81330 |
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 |
US-2021300839-A1 | Method for quenching peroxycarboxylic acid runaway reactions | 20200331 |
WO-2021202625-A1 | Method for quenching peroxycarboxylic acid runaway reactions | 20200331 |
WO-2021199748-A1 | Composition, film, and optical sensor | 20200330 |
US-2021198241-A1 | Substituted tetrahydrofurans as modulators of sodium channels | 20191206 |
WO-2021113627-A1 | Substituted tetrahydrofurans as modulators of sodium channels | 20191206 |
PMID | Publication Date | Title | Journal |
21189019 | 20110127 | Identifying chelators for metalloprotein inhibitors using a fragment-based approach | Journal of medicinal chemistry |
19774292 | 20091014 | NMR and DFT study on media effects on proton transfer in hydrogen bonding: concept of molecular probe with an application to ionic and super-polar liquids | Physical chemistry chemical physics : PCCP |
21583319 | 20090701 | Tetra-μ-acetato-bis-[(pyridine N-oxide)copper(II)](Cu-Cu) | Acta crystallographica. Section E, Structure reports online |
21201074 | 20080927 | Aqua-(picolinato N-oxide-κO,O)(pyridine-2,6-dicarboxyl-ato-κO,N,O')iron(III) monohydrate | Acta crystallographica. Section E, Structure reports online |
18225869 | 20080221 | Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS study | The journal of physical chemistry. A |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.026943022 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.026943022 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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