5-Methyl-2-isopropyloxy-4-(pyridine-4-YL)-nitrobenzene

C₁₅H₁₆N₂O₃CAS 1032903-62-0272.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₆N₂O₃
Molar mass: 272.30 g/mol
Exact mass: 272.1161 Da
logP: 3.75Crippen estimate
Polar surface area: 65.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H411 Toxic to aquatic life with long lasting effects66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

1032903-62-0

SMILES

CC1=CC(=C(C=C1C2=CC=NC=C2)OC(C)C)[N+](=O)[O-]

InChIKey

FGDOUMVPHJHSCK-UHFFFAOYSA-N

InChI

InChI=1S/C15H16N2O3/c1-10(2)20-15-9-13(12-4-6-16-7-5-12)11(3)8-14(15)17(18)19/h4-10H,1-3H3

Weigh it out

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

Names and synonyms

1 names

4-(5-Isopropoxy-2-methyl-4-nitrophenyl)pyridine

Work with 5-Methyl-2-isopropyloxy-4-(pyridine-4-YL)-nitrobenzene

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

1-Bromo-2-methyl-5-(1-methylethoxy)-4-nitrobenzene1202858-68-163 % similar 1-Chloro-5-isopropoxy-2-methyl-4-nitrobenzene1032903-50-659 % similar 3-Methyl-4-nitropyridine1678-53-144 % similar 4-Methyl-3-nitropyridine5832-44-044 % similar 1-Fluoro-5-methoxy-2-methyl-4-nitrobenzene314298-13-039 % similar 4-Methoxy-3-nitropyridine31872-62-538 % similar 1-Methyl-4-(1-methylethyl)-2-nitrobenzene943-15-738 % similar 4,5-Dimethoxy-2-nitrotoluene7509-11-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-2-Amino-5-(naphthalen-2-ylamino)-5-oxopentanoic acid14525-44-1 4-Benzoylamino-2,5-dimethoxyaniline6268-05-9 5-Ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine85583-54-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook