1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid

C10H11BrF2N2O4 — CID 156540130

IUPAC1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid
SMILESCC(COc1cc(Br)cn(C(F)F)c1=O)NC(=O)O
InChIInChI=1S/C10H11BrF2N2O4/c1-5(14-10(17)18)4-19-7-2-6(11)3-15(8(7)16)9(12)13/h2-3,5,9,14H,4H2,1H3,(H,17,18)
InChIKeyCUTBJIOZELPYDP-UHFFFAOYSA-N
MW341.11 g/mol
LogP2.04
Rot. Bonds5

About 1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid

1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid (PubChem CID 156540130) has the molecular formula C10H11BrF2N2O4 and a molecular weight of 341.11 g/mol. Its IUPAC name is 1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid
PubChem CID156540130
Molecular FormulaC10H11BrF2N2O4
Molecular Weight341.11 g/mol
Exact Mass339.99
IUPAC Name1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid
SMILESCC(COc1cc(Br)cn(C(F)F)c1=O)NC(=O)O
InChIInChI=1S/C10H11BrF2N2O4/c1-5(14-10(17)18)4-19-7-2-6(11)3-15(8(7)16)9(12)13/h2-3,5,9,14H,4H2,1H3,(H,17,18)
InChIKeyCUTBJIOZELPYDP-UHFFFAOYSA-N
XLogP2.04
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.11
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid?
The IUPAC name of 1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid (CID 156540130) is 1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid.
What is the SMILES notation for 1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid?
The canonical SMILES for 1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid is CC(COc1cc(Br)cn(C(F)F)c1=O)NC(=O)O.
What is the InChIKey of 1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid?
The InChIKey is CUTBJIOZELPYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O4/c1-5(14-10(17)18)4-19-7-2-6(11)3-15(8(7)16)9(12)13/h2-3,5,9,14H,4H2,1H3,(H,17,18).
What are the key properties of 1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid?
1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid has a molecular weight of 341.11 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid is sourced from PubChem (CID 156540130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).