chempirical

Indazole

C7H6N2CAS 271-44-3118.14 g/mol

Open in Covalent MOL file
NHN

Properties

Molecular formula
C7H6N2
Molar mass
118.14 g/mol
Exact mass
118.0531 Da
Melting point
148 °C
Boiling point
269 °C
logP
1.56Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
271-44-3
SMILES
c1ccc2[nH]ncc2c1
InChIKey
BAXOFTOLAUCFNW-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)

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Names and synonyms

7 names
  • 1H-Indazole
  • Isoindazole
  • 2-Azaindole
  • 1,2-Diazaindene
  • 1H-Benzopyrazole
  • NSC 26336
  • NSC 90357

Reactions

Work with 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1H-Pyrazolo[4,3-C]pyridine271-52-354 % similar 1H-Indazol-5-ol15579-15-448 % similar 5-Methyl-1H-indazole1776-37-048 % similar 1H-Indazol-5-amine19335-11-648 % similar 6-Fluoro-1H-indazole348-25-448 % similar 5-Fluoro-1H-indazole348-26-548 % similar 5-Chloro-1H-indazole698-26-048 % similar 1H-Pyrazolo(3,4-b)pyridine271-73-846 % similar

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

Same formula

3-(Cyanomethylene)cyclobutanecarbonitrile1153949-98-4 Pyridin-4-yl-acetonitrile13121-99-8 6-Methyl-2-pyridinecarbonitrile1620-75-3 4-Methyl-2-pyridinecarbonitrile1620-76-4 5-Methyl-2-pyridinecarbonitrile1620-77-5 2-Methylpyridine-3-carbonitrile1721-23-9 2-Aminobenzonitrile1885-29-6 3-Methyl-2-pyridinecarbonitrile20970-75-6

Elsewhere

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