3-Methyl-4-nitropyridine

C₆H₆N₂O₂CAS 1678-53-1138.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₆N₂O₂
Molar mass: 138.13 g/mol
Exact mass: 138.0429 Da
Melting point: 28–29 °C
Boiling point: 57–59 °C (at 0.4 Torr)
logP: 1.30Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

1678-53-1

SMILES

Cc1cnccc1[N+](=O)[O-]

InChIKey

UYAWSMUOLFSNGC-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2O2/c1-5-4-7-3-2-6(5)8(9)10/h2-4H,1H3

Weigh it out

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

Names and synonyms

2 names

Pyridine, 3-methyl-4-nitro-
3-Picoline, 4-nitro-

Work with 3-Methyl-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

4-Methyl-3-nitropyridine5832-44-074 % similar 3-Fluoro-4-nitropyridine13505-01-659 % similar 2-Nitrotoluene88-72-256 % similar 4-Chloro-3-nitropyridine13091-23-156 % similar 4-Methoxy-3-nitropyridine31872-62-554 % similar 4-Nitro-M-xylene89-87-251 % similar 4-Ethoxy-3-nitropyridine1796-84-550 % similar 5-Nitroisoquinoline607-32-950 % similar

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

Same formula

4-Nitroaniline100-01-6 4-Aminopicolinic acid100047-36-7 Urocanic acid104-98-3 Benzoquinone dioxime105-11-3 5-Methyl-2-nitropyridine1074-38-0 2-Aminopyridine-4-carboxylic acid13362-28-2 2-Methyl-4-nitropyridine13508-96-8 2-Methyl-4-pyrimidinecarboxylic acid13627-49-1

Elsewhere

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