3-Methyl-5-nitro-2(1H)-pyridinone

C₆H₆N₂O₃CAS 21901-34-8154.13 g/mol

Open in Covalent MOL file

Nitro Phenol

Properties

Molecular formula: C₆H₆N₂O₃
Molar mass: 154.13 g/mol
Exact mass: 154.0378 Da
Melting point: 228.5–229.5 °C
logP: 1.00Crippen estimate
Polar surface area: 76.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed91.8% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage91.8% of notifiers
H335 May cause respiratory irritation98.6% of notifiers

Aggregated from 73 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

21901-34-8

SMILES

Cc1cc([N+](=O)[O-])cnc1O

InChIKey

FPTYZBDNBMVYCL-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2O3/c1-4-2-5(8(10)11)3-7-6(4)9/h2-3H,1H3,(H,7,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

2(1H)-Pyridinone, 3-methyl-5-nitro-
2-Pyridinol, 3-methyl-5-nitro-
2-Hydroxy-3-methyl-5-nitropyridine
6-Hydroxy-5-methyl-3-nitropyridine
3-Methyl-5-nitro-2-pyridinol
NSC 63888
3-Methyl-5-nitropyridin-2(1H)-one
2-Hydroxy-5-nitro-3-picoline
3-Methyl-5-nitro-1H-pyridin-2-one
3-Methyl-5-nitro-1,2-dihydropyridin-2-one
3-Methyl-5-nitro-2-pyridone

Work with 3-Methyl-5-nitro-2(1H)-pyridinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Dinitro-2(1H)-pyridinone2980-33-866 % similar 2,3-Dimethyl-5-nitropyridine89244-47-366 % similar 2-Methoxy-3-methyl-5-nitropyridine89694-10-063 % similar 3-Bromo-5-nitro-2(1H)-pyridinone15862-33-662 % similar 2-Amino-3-methyl-5-nitropyridine18344-51-962 % similar 2-Fluoro-3-methyl-5-nitropyridine19346-46-462 % similar 2-Chloro-3-methyl-5-nitropyridine22280-56-462 % similar 3-Chloro-5-nitro-2(1H)-pyridinone22353-38-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Nitro-3-methylpyridine N-oxide1074-98-2 4-Amino-2-nitrophenol119-34-6 2-Amino-5-nitrophenol121-88-0 3-Acetyl-1H-pyrazole-5-carboxylic acid1297537-45-1 6-Methyl-2-nitropyridin-3-ol15128-90-2 2-Methoxy-3-nitropyridine20265-35-4 3-Methoxy-2-nitropyridine20265-37-6 2-Hydroxy-4-methyl-3-nitropyridine21901-18-8

Elsewhere

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