6-Hydroxy-5-nitropyridine-3-carboxylic acid - CAS 6635-31-0
Catalog: |
BB032998 |
Product Name: |
6-Hydroxy-5-nitropyridine-3-carboxylic acid |
CAS: |
6635-31-0 |
Synonyms: |
5-nitro-6-oxo-1H-pyridine-3-carboxylic acid |
IUPAC Name: | 5-nitro-6-oxo-1H-pyridine-3-carboxylic acid |
Description: | 6-Hydroxy-5-nitropyridine-3-carboxylic acid (CAS# 6635-31-0) is a useful research chemical. |
Molecular Weight: | 184.11 |
Molecular Formula: | C6H4N2O5 |
Canonical SMILES: | C1=C(C(=O)NC=C1C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C6H4N2O5/c9-5-4(8(12)13)1-3(2-7-5)6(10)11/h1-2H,(H,7,9)(H,10,11) |
InChI Key: | VJMXJGVEVASJOD-UHFFFAOYSA-N |
Boiling Point: | 363.6 ℃ at 760 mmHg |
Density: | 1.7 g/cm3 |
MDL: | MFCD02180840 |
LogP: | 0.91680 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P261, P264, P271, P280, P304+P340, P305+P351+P338, P312, P337+P313, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113429426-A | Amide compound and preparation method and application thereof | 20200323 |
AU-2018205019-A1 | Inhibitors of transglutaminases | 20161227 |
CA-3044487-A1 | Inhibitors of transglutaminases | 20161227 |
CN-110088120-A | The inhibitor of transglutaminase | 20161227 |
EP-3342779-A1 | Inhibitors of transglutaminases | 20161227 |
Complexity: | 349 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.01202123 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.01202123 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 112 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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