2-Methyl-6-nitroquinoline

C₁₀H₈N₂O₂CAS 613-30-9188.19 g/mol

Open in Covalent MOL file

Nitro

Properties

Molecular formula: C₁₀H₈N₂O₂
Molar mass: 188.19 g/mol
Exact mass: 188.0586 Da
Melting point: 164 °C
logP: 2.45Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed88.6% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage86.4% of notifiers
H319 Causes serious eye irritation13.6% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

613-30-9

SMILES

Cc1ccc2cc([N+](=O)[O-])ccc2n1

InChIKey

DXDPHHQJZWWAEH-UHFFFAOYSA-N

InChI

InChI=1S/C10H8N2O2/c1-7-2-3-8-6-9(12(13)14)4-5-10(8)11-7/h2-6H,1H3

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

Names and synonyms

3 names

Quinoline, 2-methyl-6-nitro-
Quinaldine, 6-nitro-
6-Nitroquinaldine

Work with 2-Methyl-6-nitroquinoline

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

6-Nitroquinoline613-50-355 % similar 2,6-Dimethylquinoline877-43-053 % similar 2-Methyl-5-nitropyridine21203-68-953 % similar 2-Nitronaphthalene581-89-551 % similar 2-Methyl-4-nitropyridine13508-96-851 % similar 2-Methyl-6-nitrobenzoxazole5683-43-251 % similar 2-Methyl-8-nitroquinoline881-07-249 % similar 2-Methylquinoline-6-carboxaldehyde108166-03-649 % similar

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

Same formula

4-(1H-Pyrazol-4-yl)benzoic acid1017794-47-6 4-(1H-Imidazol-2-yl)benzoic Acid108035-45-6 3-(1H-Imidazol-1-yl)benzoic acid108035-47-8 5-Phenyl-1H-pyrazole-3-carboxylic acid1134-49-2 1-Phenyl-1H-pyrazole-4-carboxylic acid1134-50-5 3-(4-Hydroxyphenyl)-2(1H)-pyrazinone126247-63-0 2-(1H-Imidazol-1-yl)benzoic acid159589-67-0 4-(1H-Pyrazol-1-yl)benzoic acid16209-00-0

Elsewhere

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