2-Amino-5-chloro-3-iodopyridine

HCID 11076010CAS 211308-81-5

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ncc(Cl)cc1I
InChIKey: DIONPYCYVWCDIG-UHFFFAOYSA-N
Molecular formula: C5H4ClIN2
Average molar mass: 254.45 g/mol
Monoisotopic mass: 253.91077381

Names & identifiers

Preferred name: 2-Amino-5-chloro-3-iodopyridine
IUPAC: 5-chloro-3-iodopyridin-2-amine
English name: 2-AMINO-5-CHLORO-3-IODOPYRIDINE
Molecular formula: C5H4ClIN2
Molecular weight: 254.46

Names & synonyms

2-AMINO-5-CHLORO-3-IODOPYRIDINE211308-81-55-chloro-3-iodo-2-pyridinamineDTXSID30454375RefChem:464547DTXCID20405194677-833-75-chloro-3-iodopyridin-2-amine5-Chloro-3-iodo-pyridin-2-ylamineMFCD076445782-PYRIDINAMINE, 5-CHLORO-3-IODO-5-chloro-3-iodopyridin-2-ylamine

Show more names

2-Amino-5-chloro-3-iodopyridin2-AMINO-5-CHLORO-4-IODOPYRIDINE2-amino-3-iodo-5-chloropyridine2-AMINO-5-CHLORO-3-IODOPYRIDINE ISO 9001：2015 REACH

5-chloro-3-iodo-2-aminopyridine5-Chloro-3-iodo-2-amino-pyridineSCHEMBL8927555-chloro-3-iodo-2-pyridylamine5-Chloro-3-iodo-pyridin-2-ylaALBB-034166SBB101451AKOS005071981

Database identifiers

CAS: 211308-81-5
PubChem CID: 11076010
DTXSID: DTXSID30454375
EC Number: 677-833-7
Nikkaji: J980.392K

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 101

Physicochemical properties

Melting point: 137 · 137-138°C
Boiling point: 306.9 · 306.9±42.0 °C(Predicted)
Density: 2.139 · 2.139±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: powder to crystal
pka: 2.27 · 2.27±0.49(Predicted)
color: Light yellow to Yellow to Orange
Sensitive: Light Sensitive
InChI: 1S/C5H4ClIN2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
InChIKey: DIONPYCYVWCDIG-UHFFFAOYSA-N
SMILES: Nc1ncc(Cl)cc1I
CAS DataBase Reference: 211308 · 211308-81-5
UNSPSC Code: 12352116 · 12352116
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 312 · H312-H315-H319-H335-H302
Precautionary statements: 280 h-P305+P351+P338 · P280h-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
PackingGroup: III
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

Safety data

wgk: WGK 3
hs_code: 2933399990
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H312-H315-H319-H335-H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P280h-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2-Amino-5-chloro-3-iodopyridine is a useful synthetic intermediate. It was used in the rational design of highly selective spleen tyrosine kinase inhibitors. It was also used to synthesize azaindole derivatives with antibacterial and antifungal activities.