2-Hydroxy-5-methyl-3-nitropyridine

HCID 345643
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Substructure searchFind similar structures

Basic information

CAS
7464-14-4
Standard SMILES
Cc1c[nH]c(=O)c([N+](=O)[O-])c1
InChIKey
QAINEQVHSHARMD-UHFFFAOYSA-N
Molecular formula
C6H6N2O3
Average molar mass
154.12 g/mol
Monoisotopic mass
154.03784205

Names & identifiers

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

Names & synonyms

2-Hydroxy-5-methyl-3-nitropyridineDTXSID90323215RefChem:473273DTXCID90274334625-895-07464-14-45-methyl-3-nitropyridin-2-ol5-methyl-3-nitro-1H-pyridin-2-oneMFCD020700215-methyl-3-nitro-pyridin-2-ol5-methyl-3-nitro-1H-pyridone2-hydroxy-3-nitro-5-methylpyridine
Show more names
5-Methyl-3-nitro-2-pyridinol6-Hydroxy-5-nitro-3-picoline5-Methyl-3-nitro-2(1H)-pyridone5-Methyl-3-nitropyridin-2(1H)-one
AB10657SY011629EU-0096656H14835-methyl-3-nitro-2(1h)-pyridinone2-Hydroxy-3-nitro-5-picoline2(1H)-Pyridinone, 5-methyl-3-nitro-3-(nitro)-5-methylpyridin-2-ol

Database identifiers

CAS
7464-14-4
PubChem CID
345643
DTXSID
DTXSID90323215
ChEMBL
CHEMBL1451314
EC Number
625-895-0
Nikkaji
J877.055G

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
74.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

Solubility>23.1 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
179 °C · 179 °C (dec.) (lit.)
Boiling point
353.3 · 353.3±35.0 °C(Predicted)
Density
1.24 g/mL · 1.24 g/mL at 25 °C(lit.)
Flash point
179 °C · 179 °C
storage temp.
2 · 2-8°C
solubility
soluble in Dimethylformamide

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
2933399990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 2 items

Description2-Hydroxy-5-methyl-3-nitropyridine (HMPN) is an organosynthetic compound that can be used as a feedstock for the synthesis of other compounds or as a biological inhibitor, such as in the preparation of 2-chloro-5-methyl-3-nitropyridine and transglutaminase 2 (tg2) inhibitors. It reacts with molybdenum and chloride. It is able to react with molybdenum and chloride, and it is able to increase the reaction yield and time. It is also used to explain its reactivity with xylene.

Uses2-Hydroxy-5-methyl-3-nitropyridine may be used in the preparation of 2-chloro-5-methyl-3-nitropyridine via chlorination, using thionyl chloride. It may also be used is preparing proteasome inhibitors containing 5-methylpyridin-2(1H)-one moiety.

Upstream & downstream products

Suppliers100 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海美律医药科技有限公司+86-53530655; +8613916485955 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
上海策嵘生物科技有限公司[email protected]
广州弗尔博生物科技有限公司19513720913 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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