2,3-Dimethyl-4-nitropyridine

C₇H₈N₂O₂CAS 68707-69-7152.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈N₂O₂
Molar mass: 152.15 g/mol
Exact mass: 152.0586 Da
logP: 1.61Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

68707-69-7

SMILES

CC1=C(C=CN=C1C)[N+](=O)[O-]

InChIKey

WSQGOUOZNCRFNQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O2/c1-5-6(2)8-4-3-7(5)9(10)11/h3-4H,1-2H3

Weigh it out

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

Work with 2,3-Dimethyl-4-nitropyridine

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

2-Methyl-3-nitropyridine18699-87-162 % similar 2-Hydroxymethyl-3-methyl-4-nitropyridine168167-49-561 % similar 2-Methyl-3-nitropyridine hydrochloride63585-69-357 % similar 2,6-Dinitrotoluene606-20-256 % similar 3-Nitro-o-xylene83-41-051 % similar 3-Methyl-4-nitropyridine1678-53-149 % similar 2,3-Dimethyl-4-fluoronitrobenzene1736-87-449 % similar 2,3-Dimethyl-4-nitrophenol19499-93-549 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Methyl-4-nitroaniline100-15-2 4-Methyl-3-nitroaniline119-32-4 Methyl 2-aminopyridine-3-carboxylate14667-47-1 2,6-Dimethyl-3-nitropyridine15513-52-7 4,6-Dimethylpyrimidine-5-carboxylic acid157335-93-8 Methyl 4-aminopyridine-3-carboxylate16135-36-7 6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-4 1-Methyl-2-(2-nitroethenyl)-pyrrole3156-50-1

Elsewhere

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