6-Methoxy-1H-indole-3-acetonitrile

C₁₁H₁₀N₂OCAS 23084-35-7186.21 g/mol

Open in Covalent MOL file

Ether Nitrile

Properties

Molecular formula: C₁₁H₁₀N₂O
Molar mass: 186.21 g/mol
Exact mass: 186.0793 Da
Melting point: 111–112 °C
logP: 2.24Crippen estimate
Polar surface area: 48.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

23084-35-7

SMILES

COc1ccc2c(CC#N)c[nH]c2c1

InChIKey

TXDMKKKJRXIVNO-UHFFFAOYSA-N

InChI

InChI=1S/C11H10N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4H2,1H3

Weigh it out

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

Names and synonyms

3 names

1H-Indole-3-acetonitrile, 6-methoxy-
Indole-3-acetonitrile, 6-methoxy-
2-(6-Methoxy-1H-indol-3-yl)acetonitrile

Work with 6-Methoxy-1H-indole-3-acetonitrile

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-Methoxytryptamine3610-36-462 % similar 6-Fluoro-1H-indole-3-acetonitrile2341-25-560 % similar Indole-3-acetonitrile771-51-756 % similar 2,5-Dimethoxyphenylacetonitrile18086-24-356 % similar (7-Methoxynaphthalen-1-yl)acetonitrile138113-08-353 % similar 2-[5-(Benzyloxy)-1H-indol-3-yl]acetonitrile2436-15-952 % similar 5-Methoxytryptamine608-07-149 % similar 6-Methoxy-1H-indole-3-carbaldehyde70555-46-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-[4-(1H-Imidazol-1-yl)phenyl]ethanone10041-06-2 2-(5-Methoxy-1H-indol-3-yl)acetonitrile2436-17-1 6'-Methoxy-2,3'-bipyridyl381725-49-1 2-Naphthohydrazide39627-84-4 1-Naphthohydrazide43038-45-5 3-Acetyl-2-methyl-1,6-naphthyridine52816-65-6 1-Benzyl-1H-pyrazole-4-carbaldehyde63874-95-3 1-Benzyl-1H-imidazole-5-carboxaldehyde85102-99-4

Elsewhere

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