2-Amino-3-iodopyridine

HCID 2763151

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 104830-06-0
Standard SMILES: Nc1ncccc1I
InChIKey: UUDNBWSHTUFGDQ-UHFFFAOYSA-N
Molecular formula: C5H5IN2
Average molar mass: 220.01 g/mol
Monoisotopic mass: 219.94975

Names & identifiers

Preferred name: 2-Amino-3-iodopyridine
IUPAC: 3-iodopyridin-2-amine
English name: 3-Iodopyridin-2-amine
Molecular formula: C5H5IN2
Molecular weight: 220.01

Names & synonyms

2-Amino-3-iodopyridine104830-06-0DTXSID50376767RefChem:255381DTXCID10327795624-002-13-Iodopyridin-2-amine3-Iodopyrid-2-ylamineMFCD016518853-Iodo-pyridin-2-ylamine2-PYRIDINAMINE, 3-IODO-iodo-aminopyridine

Show more names

2-Amino-3-iodopyridine >2-Amino-3-iodopyridine,98%2-Amino-3-iodopyridine 97%

2-amino-3-iodpyridine3-iodo-2-pyridylamine3-Iodo-2-aminopyridine3-iodopyridin-2-ylamine(3-Iodopyridin-2-yl)amineSCHEMBL3123053-IODO-2-PYRIDINAMINE9V6VS2Q32U

Database identifiers

CAS: 104830-06-0
PubChem CID: 2763151
DTXSID: DTXSID50376767
UNII: 9V6VS2Q32U
EC Number: 624-002-1
Nikkaji: J931.358C

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 76

Physicochemical properties

Melting point: 87 · 87-91 °C
Boiling point: 289.6 · 289.6±25.0 °C(Predicted)
Density: 2.055 · 2.055±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in Methanol
pka: 4.5 · 4.50±0.36(Predicted)
form: Powder, Crystalline Powder or Needles
color: White to pale brown
Sensitive: Air & Light Sensitive
InChI: InChI=1S/C5H5IN2/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8)
InChIKey: UUDNBWSHTUFGDQ-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC=C1I
CAS DataBase Reference: 104830 · 104830-06-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-37/38-41
Safety Statements: 26 · 26-39
WGK Germany: 2 · 2
HazardClass: IRRITANT
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 2
hs_code: 29333990
risk_code: 22-37/38-41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi,Xn
safety_code: 26-39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H318-H335
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P280-P301+P312+P330-P302+P352-P305+P351+P338+P310

Chemistry & industry

Applications · 1 item

Uses2-Amino-3-iodopyridine (3-Iodopyridin-2-amine) can be coupled with formyl derivatives under a copper-catalyzed indole synthesis method, and then constructed azide analogs through copper-mediated conjugated adducts things. The nucleophilicity of 2-Amino-3-iodopyridine is lower than that of the corresponding aniline used in the synthesis of indole, a potential obstacle for future synthesis[1].