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

C10H11BrF2N2O4 — CID 175311863

IUPAC[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] carbamate
SMILESC[C@H](COc1cc(Br)cn(C(F)F)c1=O)OC(N)=O
InChIInChI=1S/C10H11BrF2N2O4/c1-5(19-10(14)17)4-18-7-2-6(11)3-15(8(7)16)9(12)13/h2-3,5,9H,4H2,1H3,(H2,14,17)/t5-/m1/s1
InChIKeyBMWYZHLRJQCJHT-RXMQYKEDSA-N
MW341.11 g/mol
LogP1.87
Rot. Bonds5

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

[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] carbamate (PubChem CID 175311863) has the molecular formula C10H11BrF2N2O4 and a molecular weight of 341.11 g/mol. Its IUPAC name is [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] carbamate.

Molecular Properties

Compound Name[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] carbamate
PubChem CID175311863
Molecular FormulaC10H11BrF2N2O4
Molecular Weight341.11 g/mol
Exact Mass339.99
IUPAC Name[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] carbamate
SMILESC[C@H](COc1cc(Br)cn(C(F)F)c1=O)OC(N)=O
InChIInChI=1S/C10H11BrF2N2O4/c1-5(19-10(14)17)4-18-7-2-6(11)3-15(8(7)16)9(12)13/h2-3,5,9H,4H2,1H3,(H2,14,17)/t5-/m1/s1
InChIKeyBMWYZHLRJQCJHT-RXMQYKEDSA-N
XLogP1.87
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.11
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one
CID 156539713
[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamic acid
CID 156540129
1-[[5-Bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid
CID 156540130
tert-butyl N-[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate
CID 156563404
[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] carbamate
CID 175311827
1-[[5-Amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate
CID 175311828
[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate
CID 175311841
tert-butyl N-[1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate
CID 175311842
1-[[5-Bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate
CID 175311864

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] carbamate?
The IUPAC name of [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] carbamate (CID 175311863) is [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] carbamate.
What is the SMILES notation for [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] carbamate?
The canonical SMILES for [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] carbamate is C[C@H](COc1cc(Br)cn(C(F)F)c1=O)OC(N)=O.
What is the InChIKey of [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] carbamate?
The InChIKey is BMWYZHLRJQCJHT-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H11BrF2N2O4/c1-5(19-10(14)17)4-18-7-2-6(11)3-15(8(7)16)9(12)13/h2-3,5,9H,4H2,1H3,(H2,14,17)/t5-/m1/s1.
What are the key properties of [(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] carbamate?
[(2R)-1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] carbamate has a molecular weight of 341.11 g/mol, XLogP of 1.87, 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] carbamate is sourced from PubChem (CID 175311863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).