3-Hydroxy-2-nitropyridine - CAS 15128-82-2

Name: 3-Hydroxy-2-nitropyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	2-nitropyridin-3-ol
Description:	2-Nitro-3-pyridinol may be used in the synthesis of novel sulfonates that are potent inhibitors of cell proliferation and tubulin polymerization. It may also be used to prepare (aminoaryl)(benzyloxy)pyridines as potential antitumor agents.
Molecular Weight:	140.10
Molecular Formula:	C5H4N2O3
Canonical SMILES:	C1=CC(=C(N=C1)[N+](=O)[O-])O
InChI:	InChI=1S/C5H4N2O3/c8-4-2-1-3-6-5(4)7(9)10/h1-3,8H
InChI Key:	QBPDSKPWYWIHGA-UHFFFAOYSA-N
Boiling Point:	383.2 °C at 760 mmHg
Melting Point:	67-72 °C
Purity:	95 %
Density:	1.507 g/cm³
Appearance:	Purple-yellow.
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00006258
LogP:	1.21860

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-113476619-A	A kind of18F-labeled nano antibody probe and preparation method and application thereof	20210708
CN-112574103-A	Synthetic method of 2-amino-3-hydroxypyridine	20201217
CN-112125841-A	Novel synthesis method of crizotinib intermediate	20201023
KR-20200096455-A	Novel pyridine derivatives having inhibition activity against SHIP2 and pharmaceutical compositions with the components	20200803
CN-213078179-U	Stirring device for 3-hydroxy-2-nitropyridine production	20200723

PMID	Publication Date	Title	Journal
22658996	20121001	Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of 3-hydroxy-6-methyl-2-nitropyridine	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
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

Complexity:	133
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:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.02219199
Rotatable Bond Count:	0
Topological Polar Surface Area:	78.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2