2-Iodo-isonicotinic acid

C6H4INO2CAS 58481-10-0249.01 g/mol

Open in Covalent MOL file
NOOHI
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H4INO2
Molar mass
249.01 g/mol
Exact mass
248.9287 Da
logP
1.38Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
58481-10-0
SMILES
C1=CN=C(C=C1C(=O)O)I
InChIKey
FALCXGCLOUKBSP-UHFFFAOYSA-N
InChI
InChI=1S/C6H4INO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)

Weigh it out

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

Names and synonyms

1 names
  • 2-Iodoisonicotinic acid

Work with 2-Iodo-isonicotinic 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

2,2'-Bipyridine-4,4'-dicarboxylic acid6813-38-365 % similar Lutidinic acid499-80-963 % similar 2-Fluoroisonicotinic acid402-65-361 % similar 2-Aminopyridine-4-carboxylic acid13362-28-259 % similar 2-Methylpyridine-4-carboxylic acid4021-11-859 % similar 2-Chloroisonicotinic acid6313-54-859 % similar 2-Bromoisonicotinic acid66572-56-359 % similar 2,2':6',2''-Terpyridine-4,4',4''-tricarboxylic acid216018-58-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iodopyridine-2-carboxylic acid405939-79-9 1-Iodo-2-nitrobenzene609-73-4 1-Iodo-4-nitrobenzene636-98-6 1-Iodo-3-nitrobenzene645-00-1

Elsewhere

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