5-Methoxy-1H-pyrrolo[2,3-B]pyridine

C₈H₈N₂OCAS 183208-36-8148.16 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₈H₈N₂O
Molar mass: 148.16 g/mol
Exact mass: 148.0637 Da
logP: 1.57Crippen estimate
Polar surface area: 37.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

183208-36-8

SMILES

COC1=CN=C2C(=C1)C=CN2

InChIKey

AFUFCCUQHGSNAN-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2O/c1-11-7-4-6-2-3-9-8(6)10-5-7/h2-5H,1H3,(H,9,10)

Weigh it out

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

Work with 5-Methoxy-1H-pyrrolo[2,3-B]pyridine

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

1H-Pyrrolo[2,3-B]pyridin-5-ylamine100960-07-455 % similar 5-Methoxyindole1006-94-653 % similar 1H-Pyrrolo[2,3-B]pyridine-5-carboxylic acid methyl ester849067-96-551 % similar 5-Fluoro-1H-pyrrolo[2,3-B]pyridine866319-00-850 % similar 5-Chloro-7-azaindole866546-07-850 % similar 5-Methoxy-7-methylindole61019-05-449 % similar 6-Methoxyindole3189-13-749 % similar 7-Azaindole-5-boronic acid pinacol ester754214-56-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(1,3-Benzoxazol-2-yl)methanamine101333-98-6 5-(Hydroxymethyl)-1H-benzimidazole106429-29-2 4-Methoxy-1H-pyrrolo(2,3-b)pyridine122379-63-9 7-Methoxy-6-azaindole160590-40-9 5-Aminooxindole20876-36-2 5-Aminoisoindolin-1-one222036-66-0 2-Amino-5-methoxybenzonitrile23842-82-2 4-Methoxy-1H-indazole351210-06-5

Elsewhere

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