chempirical

Methyl 3-iodoindazole-5-carboxylate

C9H7IN2O2CAS 885271-25-0302.07 g/mol

Open in Covalent MOL file
OONHNI
Aryl halideEster

Properties

Molecular formula
C9H7IN2O2
Molar mass
302.07 g/mol
Exact mass
301.9552 Da
logP
1.95Crippen estimate
Polar surface area
55.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
885271-25-0
SMILES
COC(=O)c1ccc2[nH]nc(I)c2c1
InChIKey
JQHYEHRKSDHNFC-UHFFFAOYSA-N
InChI
InChI=1S/C9H7IN2O2/c1-14-9(13)5-2-3-7-6(4-5)8(10)12-11-7/h2-4H,1H3,(H,11,12)

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Names and synonyms

3 names
  • 1H-Indazole-5-carboxylic acid, 3-iodo-, methyl ester
  • Methyl 3-iodo-1H-indazole-5-carboxylate
  • 3-Iodo-1H-indazole-5-carboxylic acid methyl ester

Work with Methyl 3-iodoindazole-5-carboxylate

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

Methyl 1,2,3-benzotriazole-5-carboxylate113053-50-250 % similar Methyl indole-5-carboxylate1011-65-049 % similar Methyl 3,4-dimethylbenzoate38404-42-148 % similar 2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-348 % similar Methyl 4-iodobenzoate619-44-346 % similar Dimethyl terephthalate120-61-646 % similar Indole-6-carboxylic acid methyl ester50820-65-046 % similar Methyl 3-iodobenzoate618-91-745 % similar

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

Elsewhere

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