2-Amino-5-chloro-3-iodopyridine
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Basic information
- CAS
211308-81-5- 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 propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 38.9 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
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.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
42 records
Compound notes
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