2-Cyano-5-nitropyridine - CAS 100367-55-3

Catalog:	BB000199
Product Name:	2-Cyano-5-nitropyridine
CAS:	100367-55-3
Synonyms:	5-nitro-2-pyridinecarbonitrile; 5-nitropyridine-2-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-nitropyridine-2-carbonitrile
Description:	2-Cyano-5-nitropyridine (CAS# 100367-55-3) is a useful synthetic intermediate.
Molecular Weight:	149.11
Molecular Formula:	C6H3N3O2
Canonical SMILES:	C1=CC(=NC=C1[N+](=O)[O-])C#N
InChI:	InChI=1S/C6H3N3O2/c7-3-5-1-2-6(4-8-5)9(10)11/h1-2,4H
InChI Key:	YZDHDHMJKCKESU-UHFFFAOYSA-N
Boiling Point:	344.6 °C at 760 mmHg
Density:	1.41 g/cm³
Appearance:	Solid
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD07368184
LogP:	1.38468

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[247077-46-9]
3-Fluoro-6-methyl-2-nitropyridine

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

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.022526347
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	149.022526347
Rotatable Bond Count:	0
Topological Polar Surface Area:	82.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3