chempirical

6-Methoxy-1H-indazole

C8H8N2OCAS 3522-07-4148.16 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 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3522-07-4
SMILES
COC1=CC2=C(C=C1)C=NN2
InChIKey
CYEQSOYROKGJDA-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2O/c1-11-7-3-2-6-5-9-10-8(6)4-7/h2-5H,1H3,(H,9,10)

Weigh it out

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Work with 6-Methoxy-1H-indazole

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-Methoxyindole3189-13-753 % similar 2,6-Dimethoxynaphthalene5486-55-552 % similar 6-Bromoindazole79762-54-252 % similar Methyl 1H-indazole-6-carboxylate170487-40-851 % similar 6-Bromo-5-methoxy-1H-indazole1206800-17-050 % similar 2,7-Dimethoxynaphthalene3469-26-950 % similar 6-Fluoro-1H-indazole348-25-450 % similar 6-Methoxyisoquinoline52986-70-647 % 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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