2-Methyl-5-nitro-1H-indole-3-carbaldehyde

C10H8N2O3CAS 3558-17-6204.18 g/mol

Open in Covalent MOL file
NHN+OO−O
AldehydeNitro

Properties

Molecular formula
C10H8N2O3
Molar mass
204.18 g/mol
Exact mass
204.0535 Da
logP
2.20Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3558-17-6
SMILES
CC1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])C=O
InChIKey
IKBFYOQMSYXGBI-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O3/c1-6-9(5-13)8-4-7(12(14)15)2-3-10(8)11-6/h2-5,11H,1H3

Weigh it out

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

Work with 2-Methyl-5-nitro-1H-indole-3-carbaldehyde

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

2,3-Dimethyl-5-nitro-1H-indole21296-94-667 % similar 5-Nitro-1H-indole-3-carbaldehyde6625-96-354 % similar 2-Methylindole-3-carboxaldehyde5416-80-852 % similar 3-Methyl-5-nitro-1H-indazole40621-84-949 % similar 3-Methyl-6-nitro-1H-indazole6494-19-549 % similar 2-Methyl-5-nitrobenzaldehyde16634-91-649 % similar 2-Methyl-5-nitroindole7570-47-048 % similar 2-Nitrocarbazole14191-22-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Phenyl-3-carboxy-5-pyrazolone119-18-6 Tyrphostin A46122520-85-8 2-(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid25947-11-9 6-Methoxy-8-nitroquinoline85-81-4

Elsewhere

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