2-Methylquinoline-6-carboxaldehyde

C₁₁H₉NOCAS 108166-03-6171.20 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₁₁H₉NO
Molar mass: 171.20 g/mol
Exact mass: 171.0684 Da
logP: 2.36Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H311 Toxic in contact with skin33.3% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H331 Toxic if inhaled33.3% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

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

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

108166-03-6

SMILES

CC1=NC2=C(C=C1)C=C(C=C2)C=O

InChIKey

WAPQHBBEWPVBTO-UHFFFAOYSA-N

InChI

InChI=1S/C11H9NO/c1-8-2-4-10-6-9(7-13)3-5-11(10)12-8/h2-7H,1H3

Weigh it out

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

Names and synonyms

1 names

2-Methyl-6-quinolinecarbaldehyde

Work with 2-Methylquinoline-6-carboxaldehyde

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

2,6-Dimethylquinoline877-43-058 % similar 6-Fluoro-2-methylquinoline1128-61-653 % similar 6-Hydroxy-2-methylquinoline613-21-853 % similar 6-Amino-2-methylquinoline65079-19-853 % similar 6-Bromo-2-methylquinoline877-42-953 % similar 6-Chloroquinaldine92-46-653 % similar 6-Quinolinecarbaldehyde4113-04-651 % similar 6-Methoxy-2-methylquinoline1078-28-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Phenylpyridine 1-oxide1131-61-9 1-Naphthalenecarboxamide2243-81-4 2-Naphthalenecarboxamide2243-82-5 1-Quinolin-3-ylethanone33021-53-3 4-Phenoxypyridine4783-86-2 2-(4-Hydroxypenyl)pyridine51035-40-6 2-Benzoylpyrrole7697-46-3

Elsewhere

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