Indole-4-carboxaldehyde

C₉H₇NOCAS 1074-86-8145.16 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₉H₇NO
Molar mass: 145.16 g/mol
Exact mass: 145.0528 Da
Melting point: 141–143 °C
logP: 1.98Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed86% of notifiers
H315 Causes skin irritation20% of notifiers
H317 May cause an allergic skin reaction82% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation18% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1074-86-8

SMILES

O=Cc1cccc2[nH]ccc12

InChIKey

JFDDFGLNZWNJTK-UHFFFAOYSA-N

InChI

InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H

Weigh it out

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

Names and synonyms

6 names

1H-Indole-4-carboxaldehyde
4-Formylindole
4-Indolecarbaldehyde
NSC 337264
4-Formyl-1H-indole
1H-Indole-4-carbaldehyde

Work with Indole-4-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

Indole-3-carbaldehyde487-89-858 % similar 4-(2-Nitrovinyl)indole49839-99-854 % similar 1H-Indazole-4-carboxaldehyde669050-70-853 % similar 1H-Pyrrolo[2,3-b]pyridine-4-carbaldehyde728034-12-649 % similar 4-Chloroindole25235-85-248 % similar 4-Bromoindole52488-36-548 % similar 1-Naphthalenecarboxaldehyde66-77-348 % similar 4-Methylindole16096-32-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Indole-7-carboxaldehyde1074-88-0 Indole-5-carboxaldehyde1196-69-6 Indole-6-carboxaldehyde1196-70-9 Quinolinol1321-40-0 4′-Cyanoacetophenone1443-80-7 8-Hydroxyquinoline148-24-3 Isoquinolin-N-oxide1532-72-5 Quinoline 1-oxide1613-37-2

Elsewhere

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