Nicotinamide hydriodide

C6H7IN2OCAS 3726-23-6250.04 g/mol

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HIH2NON

Properties

Molecular formula
C6H7IN2O
Molar mass
250.04 g/mol
Exact mass
249.9603 Da
Melting point
223–226 °C
logP
1.58Crippen estimate
Polar surface area
57.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
3726-23-6
SMILES
I.N=C(O)c1cccnc1
InChIKey
ITWGXEQHZZFQES-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O.HI/c7-6(9)5-2-1-3-8-4-5;/h1-4H,(H2,7,9);1H

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Names and synonyms

4 names
  • 3-Pyridinecarboxamide, hydriodide (1:1)
  • Nicotinamide, monohydriodide
  • 3-Pyridinecarboxamide, monohydriodide
  • Niacinamide hydriodide

Work with Nicotinamide hydriodide

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Nicotinamide98-92-0Free base Menadione nicotinamide bisulfite73581-79-0Salt

Similar compounds

3-Pyridinecarboxamidine23255-20-150 % similar Thionicotinamide4621-66-350 % similar Benzamide55-21-050 % similar Niacin59-67-650 % similar 1,3-Benzenedicarboxamide1740-57-448 % similar N′-Methylnicotinamide114-33-046 % similar Nicotinyl hydrazide553-53-746 % similar Nicotinamidine hydrochloride7356-60-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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