3-Methyl-5-nitro-2-pyridone

HCID 89097CAS 21901-34-8
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc([N+](=O)[O-])c[nH]c1=O
InChIKey
FPTYZBDNBMVYCL-UHFFFAOYSA-N
Molecular formula
C6H6N2O3
Average molar mass
154.12 g/mol
Monoisotopic mass
154.03784205

Names & identifiers

Preferred name
3-Methyl-5-nitro-2-pyridone
IUPAC
3-methyl-5-nitro-1H-pyridin-2-one
English name
2-Hydroxy-3-methyl-5-nitropyridine
Molecular formula
C6H6N2O3
Molecular weight
154.12

Names & synonyms

3-Methyl-5-nitro-2-pyridoneDTXSID40176314EINECS 244-647-9NSC 63888RefChem:503982DTXCID4098805244-647-921901-34-82-Hydroxy-3-methyl-5-nitropyridine3-methyl-5-nitropyridin-2-ol2-Hydroxy-5-nitro-3-picoline3-methyl-5-nitro-1H-pyridin-2-one
Show more names
3-Methyl-5-nitro-2-pyridon2-Hydroxy-3-Methyl-5-nitropyri2-Hydroxy-5-nitro-3-picoline,98%2(1H)-Pyridinone,3-methyl-5-nitro-
3-methyl-5-nitropyridin-2(1H)-one2-hydroxy-5-nitro-3-methylpyridine3-Methyl-5-nitro-2(1H)-pyridinoneMFCD030950732(1H)-PYRIDINONE, 3-METHYL-5-NITRO-3-Methyl-5-nitro-2-pyridinol3-methyl-5-nitro-1,2-dihydropyridin-2-one3-methyl-5-nitro-pyridin-2-ol

Database identifiers

CAS
21901-34-8
PubChem CID
89097
DTXSID
DTXSID40176314
UNII
7PLY98DCN8
EC Number
244-647-9
Nikkaji
J225.477H

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
74.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
230 · 230-234 °C
Boiling point
277.46 °C · 277.46°C (rough estimate)
Density
1.4564 · 1.4564 (rough estimate)
refractive index
1.51 · 1.5100 (estimate)
storage temp.
2 · 2-8°C
solubility
soluble in Dimethylformamide

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (91.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 73 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (91.8%)

Safety data

wgk
3
ridadr
2811
hs_code
29333990
risk_code
36/37/38-41-37/38-22
Signal word
Danger
Symbol(GHS)
GHS05,GHS07

Chemistry & industry

Applications · 1 item

Uses2-Hydroxy-3-methyl-5-nitropyridine serves as a coupling partner in Cu-catalyzed reactions with diaryliodonium salts to produce coupled products in 87% yield within 5 minutes[6]. The compound exhibits unreactivity in certain catalytic systems, attributed to the decreased nucleophilicity of the hydroxypyridine moiety[7].

Upstream & downstream products

Suppliers50 total

阜新奥瑞凯精细化工有限公司0418-5113999 18740177324 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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