Basic information
- CAS
1203499-61-9- Standard SMILES
Ic1ccc2c(n1)OCCN2- InChIKey
JMOGCZVMMIYNOX-UHFFFAOYSA-N- Molecular formula
- C7H7IN2O
- Average molar mass
- 262.05 g/mol
- Monoisotopic mass
- 261.96031
Names & identifiers
- Preferred name
- 6-Iodo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
- IUPAC
- 6-iodo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
- English name
- 6-Iodo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
- Molecular formula
- C7H7IN2O
- Molecular weight
- 262.05
Names & synonyms
6-Iodo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine1203499-61-9MFCD13563084DTXSID00673657AKOS015853790BS-30253CS-0081660D743706-Iodo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine, AldrichCPR1H-Pyrido[2,3-b][1,4]oxazine, 2,3-dihydro-6-iodo-
Database identifiers
- CAS
1203499-61-9- PubChem CID
- 46318220
- DTXSID
DTXSID00673657
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 354.9 · 354.9±42.0 °C(Predicted)
- Density
- 1.89 · 1.890±0.06 g/cm3(Predicted)
- pka
- 1.92 · 1.92±0.20(Predicted)
- 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
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Uses6-Iodo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine acts as a reagent in the preparation of heteroaryl allosteric modulators of the metabotropic glutamate receptor 5 (mGlu5).
Suppliers7 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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