8-Iodo-1-(4-methoxybenzyl)-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one
Basic information
- CAS
1203499-36-8- Standard SMILES
COc1ccc(CN2C(=O)COc3nccc(I)c32)cc1- InChIKey
HHASLJWLUTWBFA-UHFFFAOYSA-N- Molecular formula
- C15H13IN2O3
- Average molar mass
- 396.18 g/mol
- Monoisotopic mass
- 395.99709
Names & identifiers
- Preferred name
- 8-Iodo-1-(4-methoxybenzyl)-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one
- IUPAC
- 8-iodo-1-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,4]oxazin-2-one
- English name
- 8-Iodo-1-(4-methoxybenzyl)-1H-pyrido-[2,3-b][1,4]oxazin-2(3H)-one
- Molecular formula
- C15H13IN2O3
- Molecular weight
- 396.18
Names & synonyms
1203499-36-88-Iodo-1-(4-methoxybenzyl)-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one8-Iodo-1-(4-methoxybenzyl)-1H-pyrido-[2,3-b][1,4]oxazin-2(3H)-one8-iodo-1-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,4]oxazin-2-oneMFCD13176669DTXSID00674144AKOS015853949CS-0081713D743918-Iodo-1-(4-methoxybenzyl)-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one, AldrichCPR8-Iodo-1-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one, 8-iodo-1-[(4-methoxyphenyl)methyl]-
Database identifiers
- CAS
1203499-36-8- PubChem CID
- 46737982
- DTXSID
DTXSID00674144
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
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
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
Uses8-Iodo-1-(4-methoxybenzyl)-1h-pyrido-[2,3-b][1,4]oxazin-2(3h)-one is a useful synthetic intermediate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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