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

C10H13F2N3O4 — CID 156539893

IUPAC1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid
SMILESCC(COc1cc(N)cn(C(F)F)c1=O)NC(=O)O
InChIInChI=1S/C10H13F2N3O4/c1-5(14-10(17)18)4-19-7-2-6(13)3-15(8(7)16)9(11)12/h2-3,5,9,14H,4,13H2,1H3,(H,17,18)
InChIKeyHAEOUXFLCQYUEE-UHFFFAOYSA-N
MW277.23 g/mol
LogP0.86
Rot. Bonds5

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

1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid (PubChem CID 156539893) 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-ylcarbamic acid.

Molecular Properties

Compound Name1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid
PubChem CID156539893
Molecular FormulaC10H13F2N3O4
Molecular Weight277.23 g/mol
Exact Mass277.09
IUPAC Name1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid
SMILESCC(COc1cc(N)cn(C(F)F)c1=O)NC(=O)O
InChIInChI=1S/C10H13F2N3O4/c1-5(14-10(17)18)4-19-7-2-6(13)3-15(8(7)16)9(11)12/h2-3,5,9,14H,4,13H2,1H3,(H,17,18)
InChIKeyHAEOUXFLCQYUEE-UHFFFAOYSA-N
XLogP0.86
TPSA106.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-1-(difluoromethyl)-3-ethoxypyridin-2-one
CID 156539475
[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamic acid
CID 156539891
[(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
1-(1-Fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one
CID 156563407
tert-butyl N-[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate
CID 156563845
5-Amino-1-(difluoromethyl)-3-propoxypyridin-2-one
CID 156564063
[(2R)-1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl] N-tert-butylcarbamate
CID 175311740
tert-butyl N-[1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-yl]carbamate
CID 175311744
[(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

Frequently Asked Questions

What is the IUPAC name of 1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid?
The IUPAC name of 1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid (CID 156539893) is 1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid.
What is the SMILES notation for 1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid?
The canonical SMILES for 1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid is CC(COc1cc(N)cn(C(F)F)c1=O)NC(=O)O.
What is the InChIKey of 1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid?
The InChIKey is HAEOUXFLCQYUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O4/c1-5(14-10(17)18)4-19-7-2-6(13)3-15(8(7)16)9(11)12/h2-3,5,9,14H,4,13H2,1H3,(H,17,18).
What are the key properties of 1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid?
1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid has a molecular weight of 277.23 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid is sourced from PubChem (CID 156539893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).