5-Iodo-2,3-dimethoxypyridine
Basic information
- CAS
1138444-04-8- Standard SMILES
COc1cc(I)cnc1OC- InChIKey
CGVJUVQHBWCVFC-UHFFFAOYSA-N- Molecular formula
- C7H8INO2
- Average molar mass
- 265.05 g/mol
- Monoisotopic mass
- 264.95998
Names & identifiers
- Preferred name
- 5-Iodo-2,3-dimethoxypyridine
- IUPAC
- 5-iodo-2,3-dimethoxypyridine
- English name
- 5-Iodo-2,3-dimethoxypyridine
- Molecular formula
- C7H8INO2
- Molecular weight
- 265.04839
Names & synonyms
5-Iodo-2,3-dimethoxypyridine1138444-04-81357252-38-0MFCD11857673DTXSID206738565-iodanyl-2,3-dimethoxy-pyridineAKOS015853762BS-261575-Iodo-2,3-dimethoxypyridine, AldrichCPRDB-060554CS-0088441E90638
Show more names
EN300-3573414F212412F1957-0836Z1269199963
Database identifiers
- CAS
1138444-04-8- PubChem CID
- 46736769
- DTXSID
DTXSID20673856
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- form
- solid
- InChI
- 1S/C7H8INO2/c1-10-6-3-5(8)4-9-7(6)11-2/h3-4H,1-2H3
- InChIKey
- CGVJUVQHBWCVFC-UHFFFAOYSA-N
- SMILES
- COc1cc(I)cnc1OC
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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