chempirical

3,5-Diiodo-4-oxo-1(4H)-pyridineacetic acid

C7H5I2NO3CAS 101-29-1404.93 g/mol

Open in Covalent MOL file
OHONIOI
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H5I2NO3
Molar mass
404.93 g/mol
Exact mass
404.8359 Da
Melting point
240 °C (decomposes)
logP
1.14Crippen estimate
Polar surface area
59.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
101-29-1
SMILES
O=C(O)Cn1cc(I)c(=O)c(I)c1
InChIKey
PVBALTLWZVEAIO-UHFFFAOYSA-N
InChI
InChI=1S/C7H5I2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)

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Names and synonyms

11 names
  • 1(4H)-Pyridineacetic acid, 3,5-diiodo-4-oxo-
  • 3,5-Diiodo-4-pyridone-N-acetic acid
  • Pelvirinic acid
  • Umbradilic acid
  • Diodone acid
  • NSC 60718
  • 1,4-Dihydro-3,5-diiodo-4-oxo-1-pyridylacetic acid
  • (3,5-Diiodo-4-oxopyridin-1(4H)-yl)acetic acid
  • 2-(3,5-Diiodo-4-oxopyridin-1(4H)-yl)acetic acid
  • 2-(3,5-Diiodo-4-oxopyridin-1-yl)acetic acid
  • 2-(3,5-Diiodo-4-oxo-1,4-dihydropyridin-1-yl)acetic acid

Work with 3,5-Diiodo-4-oxo-1(4H)-pyridineacetic 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

3,5-Dichloro-4-oxo-1(4H)-pyridineacetic acid56187-37-260 % similar N-(Carboxymethyl)acridone38609-97-141 % similar 1H-Imidazole-1-acetic acid22884-10-239 % similar N-(2-Iodobenzoyl)glycine147-58-033 % similar 4-Iodophenylacetic acid1798-06-733 % similar 1H-Indole-1-acetic acid24297-59-433 % similar 1H-Tetrazole-1-acetic acid21732-17-233 % similar 3,5-Dimethyl-1H-pyrazole-1-acetic acid16034-49-432 % similar

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

Elsewhere

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