2-Hydroxy-3-nitropyridine - CAS 6332-56-5
Catalog: |
BB032098 |
Product Name: |
2-Hydroxy-3-nitropyridine |
CAS: |
6332-56-5 |
Synonyms: |
3-nitro-1H-pyridin-2-one |
IUPAC Name: | 3-nitro-1H-pyridin-2-one |
Description: | 2-Hydroxy-3-nitropyridine (CAS# 6332-56-5) is a useful research chemical. |
Molecular Weight: | 140.10 |
Molecular Formula: | C5H4N2O3 |
Canonical SMILES: | C1=CNC(=O)C(=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-3H,(H,6,8) |
InChI Key: | BOAFCICMVMFLIT-UHFFFAOYSA-N |
Boiling Point: | 368.8 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.44 g/cm3 |
Appearance: | Yellow to yellow-brown crystalline powder |
MDL: | MFCD00006270 |
LogP: | 0.80630 |
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 |
CN-113087709-A | Pyrrolopyrimidine derivatives, and preparation method and application thereof | 20200109 |
US-10766888-B1 | HMOX1 inducers | 20190412 |
WO-2020210339-A1 | Hmox1 inducers | 20190412 |
TW-202104211-A | Hmox1 inducers | 20190412 |
US-2021015829-A1 | Cyclic trex1 inhibitors | 20190408 |
PMID | Publication Date | Title | Journal |
21581454 | 20081129 | tert-Butyl 2-(3-acetyl-amino-2-oxo-1,2-dihydro-1-pyrid-yl)acetate | Acta crystallographica. Section E, Structure reports online |
17822951 | 20080801 | Ab initio Hartree-Fock and density functional theory study on molecular structures, energies, and vibrational frequencies of conformations of 2-hydroxy-3-nitropyridine and 3-hydroxy-2-nitropyridine | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
17591760 | 20070719 | Dynamics of intramolecular hydrogen-atom migrations in 2-hydroxy-3-nitropyridine studied by low-temperature matrix-isolation infrared spectroscopy and density functional theory calculation | The journal of physical chemistry. A |
11878810 | 20020315 | A direct continuous spectrophotometric assay for glycosidases with 3-nitro-2-pyridyl glycosides by tautomerization of 2-hydroxy-3-nitropyridine | Analytical biochemistry |
11433773 | 20010601 | [Formations and reactions of aromatic furazan compounds] | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.02219199 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.02219199 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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