2-Hydroxy-3,5-dinitropyridine - CAS 2980-33-8

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

Catalog:	BB020327
Product Name:	2-Hydroxy-3,5-dinitropyridine
CAS:	2980-33-8
Synonyms:	3,5-dinitro-1H-pyridin-2-one

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Computed Properties

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 °C at 760 mmHg
Density:	1.69 g/cm³
Appearance:	White to yellow powder or crystal
MDL:	MFCD00039716
LogP:	1.23770

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Related Functional Groups

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[942206-23-7]C5H2Cl2IN
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[856848-33-4]C5H4Br2N2
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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