2-Methyl-4-nitropyridine

C₆H₆N₂O₂CAS 13508-96-8138.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₆N₂O₂
Molar mass: 138.13 g/mol
Exact mass: 138.0429 Da
logP: 1.30Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed97.6% of notifiers
H318 Causes serious eye damage95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

13508-96-8

SMILES

CC1=NC=CC(=C1)[N+](=O)[O-]

InChIKey

HWPIDHRDNNZJSY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Pyridine, 2-methyl-4-nitro-

Work with 2-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

2-Fluoro-4-nitropyridine18614-46-559 % similar 2-Chloro-4-nitropyridine23056-36-259 % similar 4-Nitro-pyridin-2-ylamine4487-50-759 % similar 4-Nitro-2(1H)-pyridinone4487-51-859 % similar 2-Bromo-4-nitropyridine6945-67-159 % similar 2-Methyl-5-nitropyridine21203-68-956 % similar 2-Cyano-4-nitropyridine19235-88-254 % similar 4-Nitropyridine1122-61-852 % 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-pyrimidinecarboxylic acid13627-49-1 3-Aminopicolinic acid1462-86-8

Elsewhere

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