2-Hydroxy-3,5-dinitropyridine - CAS 2980-33-8
Catalog: |
BB020327 |
Product Name: |
2-Hydroxy-3,5-dinitropyridine |
CAS: |
2980-33-8 |
Synonyms: |
3,5-dinitro-1H-pyridin-2-one |
IUPAC Name: | 3,5-dinitro-1H-pyridin-2-one |
Description: | 2-Hydroxy-3,5-dinitropyridine (CAS# 2980-33-8) is a useful research chemical compound. |
Molecular Weight: | 185.09 |
Molecular Formula: | C5H3N3O5 |
Canonical SMILES: | C1=C(C(=O)NC=C1[N+](=O)[O-])[N+](=O)[O-] |
InChI: | InChI=1S/C5H3N3O5/c9-5-4(8(12)13)1-3(2-6-5)7(10)11/h1-2H,(H,6,9) |
InChI Key: | KSZZJOXNRQKULB-UHFFFAOYSA-N |
Boiling Point: | 321 ℃ at 760 mmHg |
Density: | 1.69 g/cm3 |
Appearance: | White to yellow powder or crystal |
MDL: | MFCD00039716 |
LogP: | 1.23770 |
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-2019200120-A1 | Dihydroisoquinoline-2(1h)-carboxamide and related compounds and their use in treating medical conditions | 20180411 |
US-2021139484-A1 | Dihydroisoquinoline-2(1h)-carboxamide and related compounds and their use in treating medical conditions | 20180411 |
AU-2015294840-A1 | A process for the preparation of nucleoside phosphoramidate | 20140801 |
EP-3174888-A1 | A process for the preparation of nucleoside phosphoramidate | 20140801 |
US-2017218007-A1 | A process for the preparation of nucleoside phosphoramidate | 20140801 |
Complexity: | 344 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.00727020 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.00727020 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 121 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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Pyridines
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