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

Technical Data

Patents

Computed Properties

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

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Related Functional Groups

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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