5-Nitroindazole-3-carboxylic acid

C8H5N3O4CAS 78155-76-7207.15 g/mol

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

Properties

Molecular formula
C8H5N3O4
Molar mass
207.15 g/mol
Exact mass
207.0280 Da
logP
1.17Crippen estimate
Polar surface area
109.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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
78155-76-7
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=NN2)C(=O)O
InChIKey
MLTOGNYOQHDCAN-UHFFFAOYSA-N
InChI
InChI=1S/C8H5N3O4/c12-8(13)7-5-3-4(11(14)15)1-2-6(5)9-10-7/h1-3H,(H,9,10)(H,12,13)

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Names and synonyms

1 names
  • 5-Nitro-1H-indazole-3-carboxylic Acid

Work with 5-Nitroindazole-3-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

5-Nitroindole-3-carboxylic acid6958-37-860 % similar 5-Bromo-1H-indazole-3-carboxylic acid1077-94-759 % similar 5-Fluoro-1H-indazole-3-carboxylic acid1077-96-958 % similar 5-Methyl-1H-indazole-3-carboxylic acid1201-24-758 % similar 3-Amino-5-nitroindazole41339-17-758 % similar 3-Iodo-5-nitro-1H-indazole70315-69-458 % similar 5-Methoxy-1H-indazole-3-carboxylic acid90417-53-155 % similar 5-Nitroindole-2-carboxylic acid16730-20-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Nitrophthalhydrazide3682-15-3 4-Hydroxy-7-nitro-1(2H)-phthalazinone3682-19-7

Elsewhere

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