chempirical

5-Nitroindole-2-carboxylic acid

C9H6N2O4CAS 16730-20-4206.16 g/mol

Open in Covalent MOL file
N+OO−NHOOH
Carboxylic acidNitro

Properties

Molecular formula
C9H6N2O4
Molar mass
206.16 g/mol
Exact mass
206.0328 Da
logP
1.77Crippen estimate
Polar surface area
96.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
16730-20-4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C=C(N2)C(=O)O
InChIKey
LHFOJSCXLFKDIR-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N2O4/c12-9(13)8-4-5-3-6(11(14)15)1-2-7(5)10-8/h1-4,10H,(H,12,13)

Weigh it out

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

Work with 5-Nitroindole-2-carboxylic acid

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

Indole-2,5-dicarboxylic acid117140-77-959 % similar 5-Hydroxyindole-2-carboxylic acid21598-06-157 % similar 5-Fluoroindole-2-carboxylic acid399-76-856 % similar 2-Methyl-5-nitroindole7570-47-056 % similar Indole-2-carboxylic acid1477-50-554 % similar 5-Nitrobenzofuran-2-carboxylic acid10242-12-353 % similar 2,5-Dinitrobenzoic acid610-28-652 % similar 2,4-Dinitrobenzoic acid610-30-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzimidazole-5,6-dicarboxylic acid10351-75-4 2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione41663-84-7 7-Nitro-1H-indole-2-carboxylic acid6960-45-8

Elsewhere

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