3-Iodo-4-pyridinamine

C₅H₅IN₂CAS 88511-27-7220.01 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₅H₅IN₂
Molar mass: 220.01 g/mol
Exact mass: 219.9497 Da
Melting point: 100 °C
logP: 1.10Crippen estimate
Polar surface area: 39.6 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed97.8% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage88.9% of notifiers
H319 Causes serious eye irritation11.1% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

88511-27-7

SMILES

N=c1cc[nH]cc1I

InChIKey

ZGOCEDVVZKFHSY-UHFFFAOYSA-N

InChI

InChI=1S/C5H5IN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)

Weigh it out

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

Names and synonyms

6 names

4-Pyridinamine, 3-iodo-
Pyridine, 4-amino-3-iodo-
4-Amino-3-iodopyridine
3-Iodo-4-aminopyridine
3-Iodopyridin-4-amine
3-Iodopyridin-4-ylamine

Work with 3-Iodo-4-pyridinamine

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-Methyl-4-pyridinamine1990-90-556 % similar 4-Amino-3-hydroxypyridine52334-53-950 % similar 3,4-Diaminopyridine54-96-650 % similar 4-Amino-3-(trifluoromethyl)pyridine387824-61-545 % similar 4-Amino-3-pyridinecarboxamide7418-66-842 % similar 4-Amino-3-nitropyridine1681-37-441 % similar 4-Aminonicotinic acid7418-65-741 % similar 4-Aminopyridine504-24-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Iodopyridin-2-amine104830-06-0 4-Iodopyridin-3-amine105752-11-2 2-Amino-5-iodopyridine20511-12-0 6-Iodopyridin-3-amine29958-12-1 4-Iodo-2-pyridinamine552331-00-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook