Basic information
- Standard SMILES
COc1nc(Cl)c(NC(=O)OC(C)(C)C)cc1F- InChIKey
RMVUTAMARBWDMN-UHFFFAOYSA-N- Molecular formula
- C11H14ClFN2O3
- Average molar mass
- 276.69 g/mol
- Monoisotopic mass
- 276.06769821
Names & identifiers
- Preferred name
- tert-Butyl (2-chloro-5-fluoro-6-methoxypyridin-3-yl)carbamate
- IUPAC
- tert-butyl N-(2-chloro-5-fluoro-6-methoxy-3-pyridinyl)carbamate
- English name
- (2-Chloro-5-fluoro-6-Methoxy-pyridin-3-yl)-carbaMic acid tert-butyl ester
- Molecular formula
- C11H14ClFN2O3
- Molecular weight
- 276.69
Names & synonyms
tert-Butyl (2-chloro-5-fluoro-6-methoxypyridin-3-yl)carbamate943025-87-4tert-butyl N-(2-chloro-5-fluoro-6-methoxypyridin-3-yl)carbamateSCHEMBL3467391DTXSID40855819RMVUTAMARBWDMN-UHFFFAOYSA-Ntert-Butyl(2-chloro-5-fluoro-6-methoxypyridin-3-yl)carbamateDB-3615651,1-Dimethylethyl [2-chloro-5-fluoro-6-(methyloxy)-3-pyridinyl]carbamate(2-Chloro-5-fluoro-6-Methoxy-pyridin-3-yl)-carbaMic acid tert-butyl esterCarbamic acid, N-(2-chloro-5-fluoro-6-methoxy-3-pyridinyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
943025-87-4- PubChem CID
- 71463986
- DTXSID
DTXSID40855819
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Boiling point
- 293.9 · 293.9±40.0 °C(Predicted)
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.62 · 10.62±0.70(Predicted)
Chemistry & industry
Suppliers4 total
苏州施亚生物科技有限公司17715136450 · [email protected]
宁波苯康基石医药科技有限公司15990591583
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
Related reactions
3 records
Linked notes
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