2-(Hydroxymethyl)-4-nitropyridine - CAS 98197-88-7
Catalog: |
BB042125 |
Product Name: |
2-(Hydroxymethyl)-4-nitropyridine |
CAS: |
98197-88-7 |
Synonyms: |
(4-nitro-2-pyridinyl)methanol; (4-nitropyridin-2-yl)methanol |
IUPAC Name: | (4-nitropyridin-2-yl)methanol |
Description: | 2-(Hydroxymethyl)-4-nitropyridine (CAS# 98197-88-7) is a useful research chemical. |
Molecular Weight: | 154.12 |
Molecular Formula: | C6H6N2O3 |
Canonical SMILES: | C1=CN=C(C=C1[N+](=O)[O-])CO |
InChI: | InChI=1S/C6H6N2O3/c9-4-5-3-6(8(10)11)1-2-7-5/h1-3,9H,4H2 |
InChI Key: | HFSUHEWRFBAVHH-UHFFFAOYSA-N |
Boiling Point: | 337.8 °C at 760 mmHg |
Density: | 1.422 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD07774099 |
LogP: | 1.00530 |
Publication Number | Title | Priority Date |
WO-2020027905-A2 | Analogs of 2-pralidoxime as antidotes against organophosphorus nerve agents | 20180530 |
US-2021317084-A1 | Analogs of 2-Pralidoxime as Antidotes Against Organophosphorus Nerve Agents | 20180530 |
AU-2018351888-A1 | Benzimidazole compounds as agricultural chemicals | 20171018 |
WO-2019077345-A1 | BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS | 20171018 |
CA-3084350-A1 | Benzimidazole compounds as agricultural chemicals | 20171018 |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.03784206 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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