1-Methyl-3,5-dinitropyridin-2(1H)-one - CAS 14150-94-8

Catalog:	BB009185
Product Name:	1-Methyl-3,5-dinitropyridin-2(1H)-one
CAS:	14150-94-8
Synonyms:	1-methyl-3,5-dinitro-1,2-dihydropyridin-2-one

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Catalog	Size	Price	Stock	Quantity
BB009185	50 g	$459	In stock

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Technical Data

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Computed Properties

QC Data

IUPAC Name:	1-methyl-3,5-dinitropyridin-2-one
Molecular Weight:	199.12
Molecular Formula:	C6H5N3O5
Canonical SMILES:	CN1C=C(C=C(C1=O)[N+](=O)[O-])[N+](=O)[O-]
InChI:	InChI=1S/C6H5N3O5/c1-7-3-4(8(11)12)2-5(6(7)10)9(13)14/h2-3H,1H3
InChI Key:	QARVELJVEBLWGK-UHFFFAOYSA-N
Boiling Point:	289.5 °C at 760 mmHg
Purity:	97.0 %
Density:	1.6 g/cm³
MDL:	MFCD00456280
LogP:	1.24810

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Related Functional Groups

Pyridines

[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1951441-75-0]C8H13ClN2O
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[202288-73-1]C12H14Cl2N2O
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[76167-49-2]C11H10N2O
2-(Pyridin-3-yloxy)aniline
[871507-15-2]C23H18N2O2
2-(Pyridin-4-yl)-1-(4-(quinolin-2-ylmethoxy)phenyl)ethan-1-one

GHS Hazard Statement:	H301 (92.86%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021000935-A1	Hpk1 inhibitors and uses thereof	20190704
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-2018316254-A1	Carboxamides as ubiquitin-specific protease inhibitors	20170811
CA-3072449-A1	Carboxamides as ubiquitin-specific protease inhibitors	20170811

Complexity:	372
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.02292027
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.02292027
Rotatable Bond Count:	0
Topological Polar Surface Area:	112 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0