6-Methoxy-1H-pyrrolo[2,3-b]pyridine

C8H8N2OCAS 896722-53-5148.16 g/mol

Open in Covalent MOL file
ONNH
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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
896722-53-5
SMILES
COC1=NC2=C(C=C1)C=CN2
InChIKey
LNEHZEFKSUBWTA-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2O/c1-11-7-3-2-6-4-5-9-8(6)10-7/h2-5H,1H3,(H,9,10)

Weigh it out

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Names and synonyms

1 names
  • 1H-Pyrrolo[2,3-B]pyridine, 6-methoxy-

Work with 6-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

6-Methyl-1H-pyrrolo[2,3-b]pyridine824-51-153 % similar Methyl 7-azaindole-6-carboxylate1256825-86-150 % similar 4-Methoxy-2-pyrimidinamine155-90-850 % similar 6-Bromo-1H-pyrrolo[2,3-B]pyridine143468-13-748 % similar 6-Chloro-1H-pyrrolo[2,3-B]pyridine55052-27-248 % similar 6-Fluoro-1H-pyrrolo(2,3-b)pyridine898746-42-448 % similar 1,3-Dihydro-5-methoxy-2H-imidazo[4,5-b]pyridine-2-thione113713-60-345 % similar 1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile189882-33-544 % 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-Methoxy-1H-pyrrolo[2,3-B]pyridine183208-36-8 5-Aminooxindole20876-36-2 5-Aminoisoindolin-1-one222036-66-0 2-Amino-5-methoxybenzonitrile23842-82-2

Elsewhere

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