4-Iodopyridine-2-carboxylic acid

C6H4INO2CAS 405939-79-9249.01 g/mol

Open in Covalent MOL file
NIOOH
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 the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
405939-79-9
SMILES
C1=CN=C(C=C1I)C(=O)O
InChIKey
CEYJTEYGGAWURJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4INO2/c7-4-1-2-8-5(3-4)6(9)10/h1-3H,(H,9,10)

Weigh it out

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

Work with 4-Iodopyridine-2-carboxylic 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

Lutidinic acid499-80-963 % similar 4-Aminopicolinic acid100047-36-759 % similar 4-Bromopyridine-2-carboxylic acid30766-03-159 % similar 4-Methylpyridine-2-carboxylic acid4021-08-359 % similar 4-Chloropyridine-2-carboxylic acid5470-22-459 % similar 4-Fluoro-2-pyridinecarboxylic acid886371-78-459 % similar 4-Aminopyridine-2-carboxylic acid hydrochloride1291487-29-054 % similar 4-(Trifluoromethyl)pyridine-2-carboxylic acid588702-62-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Iodo-isonicotinic acid58481-10-0 1-Iodo-2-nitrobenzene609-73-4 1-Iodo-4-nitrobenzene636-98-6 1-Iodo-3-nitrobenzene645-00-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook