Nicotinamide hydriodide

C₆H₇IN₂OCAS 3726-23-6250.04 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

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

Weigh it out

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

Names and synonyms

3 names

3-Pyridinecarboxamide, hydriodide (1:1)
Nicotinamide, monohydriodide
3-Pyridinecarboxamide, monohydriodide

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

Similar compounds

Nicotinamide98-92-089 % similar Thionicotinamide4621-66-350 % similar Benzamide55-21-050 % similar 1,3-Benzenedicarboxamide1740-57-448 % similar Nicotinyl methylamide114-33-046 % similar Nicotinyl hydrazide553-53-746 % similar 3-Guanylpyridine hydrochloride7356-60-746 % similar Nicotinanilide1752-96-145 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook