chempirical

3-Iodopyridine

C5H4INCAS 1120-90-7205.00 g/mol

Open in Covalent MOL file
IN
Aryl halide

Properties

Molecular formula
C5H4IN
Molar mass
205.00 g/mol
Exact mass
204.9388 Da
Melting point
53.5 °C
Boiling point
40 °C (at 2.03 Torr)
logP
1.69Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 51 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
1120-90-7
SMILES
Ic1cccnc1
InChIKey
XDELKSRGBLWMBA-UHFFFAOYSA-N
InChI
InChI=1S/C5H4IN/c6-5-2-1-3-7-4-5/h1-4H

Weigh it out

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

Names and synonyms

4 names
  • Pyridine, 3-iodo-
  • 3-Pyridyl iodide
  • NSC 5076
  • Methanesulfonic acid, 1,1,1-trifluoro-, compd. with 3-iodopyridine (1:1)

Work with 3-Iodopyridine

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-Fluoropyridine372-47-446 % similar 5-Iodopyrimidine31462-58-545 % similar 3-Phenylpyridine1008-88-444 % similar 3-Methylpyridine108-99-644 % similar 3-Hydroxypyridine109-00-244 % similar 3-Aminopyridine462-08-844 % similar 3-Bromopyridine626-55-144 % similar 3-Chloropyridine626-60-844 % similar

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

Same formula

4-Iodopyridine15854-87-2 2-Iodopyridine5029-67-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook