[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate

C14H19BrF2N2O4 — CID 175311841

IUPAC[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate
SMILESC[C@H](COc1cc(Br)cn(C(F)F)c1=O)OC(=O)NC(C)(C)C
InChIInChI=1S/C14H19BrF2N2O4/c1-8(23-13(21)18-14(2,3)4)7-22-10-5-9(15)6-19(11(10)20)12(16)17/h5-6,8,12H,7H2,1-4H3,(H,18,21)/t8-/m1/s1
InChIKeySPWSEXMBXLXBCN-MRVPVSSYSA-N
MW397.22 g/mol
LogP3.30
Rot. Bonds5

About [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate

[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate (PubChem CID 175311841) has the molecular formula C14H19BrF2N2O4 and a molecular weight of 397.22 g/mol. Its IUPAC name is [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate
PubChem CID175311841
Molecular FormulaC14H19BrF2N2O4
Molecular Weight397.22 g/mol
Exact Mass396.05
IUPAC Name[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate
SMILESC[C@H](COc1cc(Br)cn(C(F)F)c1=O)OC(=O)NC(C)(C)C
InChIInChI=1S/C14H19BrF2N2O4/c1-8(23-13(21)18-14(2,3)4)7-22-10-5-9(15)6-19(11(10)20)12(16)17/h5-6,8,12H,7H2,1-4H3,(H,18,21)/t8-/m1/s1
InChIKeySPWSEXMBXLXBCN-MRVPVSSYSA-N
XLogP3.30
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate (CID 175311841) is [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate is C[C@H](COc1cc(Br)cn(C(F)F)c1=O)OC(=O)NC(C)(C)C.
What is the InChIKey of [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate?
The InChIKey is SPWSEXMBXLXBCN-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H19BrF2N2O4/c1-8(23-13(21)18-14(2,3)4)7-22-10-5-9(15)6-19(11(10)20)12(16)17/h5-6,8,12H,7H2,1-4H3,(H,18,21)/t8-/m1/s1.
What are the key properties of [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate?
[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate has a molecular weight of 397.22 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 175311841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).