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

C10H13F2N3O4 — CID 175311828

IUPAC1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate
SMILESCC(COc1cc(N)cn(C(F)F)c1=O)OC(N)=O
InChIInChI=1S/C10H13F2N3O4/c1-5(19-10(14)17)4-18-7-2-6(13)3-15(8(7)16)9(11)12/h2-3,5,9H,4,13H2,1H3,(H2,14,17)
InChIKeyQLBGSRKHFBGSDD-UHFFFAOYSA-N
MW277.23 g/mol
LogP0.69
Rot. Bonds5

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

1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate (PubChem CID 175311828) has the molecular formula C10H13F2N3O4 and a molecular weight of 277.23 g/mol. Its IUPAC name is 1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate.

Molecular Properties

Compound Name1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate
PubChem CID175311828
Molecular FormulaC10H13F2N3O4
Molecular Weight277.23 g/mol
Exact Mass277.09
IUPAC Name1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate
SMILESCC(COc1cc(N)cn(C(F)F)c1=O)OC(N)=O
InChIInChI=1S/C10H13F2N3O4/c1-5(19-10(14)17)4-18-7-2-6(13)3-15(8(7)16)9(11)12/h2-3,5,9H,4,13H2,1H3,(H2,14,17)
InChIKeyQLBGSRKHFBGSDD-UHFFFAOYSA-N
XLogP0.69
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate?
The IUPAC name of 1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate (CID 175311828) is 1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate.
What is the SMILES notation for 1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate?
The canonical SMILES for 1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate is CC(COc1cc(N)cn(C(F)F)c1=O)OC(N)=O.
What is the InChIKey of 1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate?
The InChIKey is QLBGSRKHFBGSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O4/c1-5(19-10(14)17)4-18-7-2-6(13)3-15(8(7)16)9(11)12/h2-3,5,9H,4,13H2,1H3,(H2,14,17).
What are the key properties of 1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate?
1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate has a molecular weight of 277.23 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl carbamate is sourced from PubChem (CID 175311828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).