5-amino-1-(difluoromethyl)-3-propoxypyridin-2-one

C9H12F2N2O2 — CID 156564063

IUPAC5-amino-1-(difluoromethyl)-3-propoxypyridin-2-one
SMILESCCCOc1cc(N)cn(C(F)F)c1=O
InChIInChI=1S/C9H12F2N2O2/c1-2-3-15-7-4-6(12)5-13(8(7)14)9(10)11/h4-5,9H,2-3,12H2,1H3
InChIKeyYIVOICQKBNEUNR-UHFFFAOYSA-N
MW218.20 g/mol
LogP1.61
Rot. Bonds4

About 5-amino-1-(difluoromethyl)-3-propoxypyridin-2-one

5-amino-1-(difluoromethyl)-3-propoxypyridin-2-one (PubChem CID 156564063) has the molecular formula C9H12F2N2O2 and a molecular weight of 218.20 g/mol. Its IUPAC name is 5-amino-1-(difluoromethyl)-3-propoxypyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(difluoromethyl)-3-propoxypyridin-2-one
PubChem CID156564063
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name5-amino-1-(difluoromethyl)-3-propoxypyridin-2-one
SMILESCCCOc1cc(N)cn(C(F)F)c1=O
InChIInChI=1S/C9H12F2N2O2/c1-2-3-15-7-4-6(12)5-13(8(7)14)9(10)11/h4-5,9H,2-3,12H2,1H3
InChIKeyYIVOICQKBNEUNR-UHFFFAOYSA-N
XLogP1.61
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
1-[[5-Amino-1-(difluoromethyl)-2-oxo-3-pyridinyl]oxy]propan-2-ylcarbamic acid
CID 156539893
1-(Difluoromethyl)-5-(methylamino)-3-(1-methylazetidin-3-yl)oxypyridin-2-one
CID 156563167
1-(1-Fluoroethyl)-5-(methylamino)-3-propoxypyridin-2-one
CID 156563407
Ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one
CID 171801023
5-Amino-1-(difluoromethyl)-3-(2-methylpropoxy)pyridin-2-one
CID 174170101
[(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
5-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
CID 43259845
5-Amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one
CID 66274771
2-ethoxy-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetamide
CID 71854783

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(difluoromethyl)-3-propoxypyridin-2-one?
The IUPAC name of 5-amino-1-(difluoromethyl)-3-propoxypyridin-2-one (CID 156564063) is 5-amino-1-(difluoromethyl)-3-propoxypyridin-2-one.
What is the SMILES notation for 5-amino-1-(difluoromethyl)-3-propoxypyridin-2-one?
The canonical SMILES for 5-amino-1-(difluoromethyl)-3-propoxypyridin-2-one is CCCOc1cc(N)cn(C(F)F)c1=O.
What is the InChIKey of 5-amino-1-(difluoromethyl)-3-propoxypyridin-2-one?
The InChIKey is YIVOICQKBNEUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c1-2-3-15-7-4-6(12)5-13(8(7)14)9(10)11/h4-5,9H,2-3,12H2,1H3.
What are the key properties of 5-amino-1-(difluoromethyl)-3-propoxypyridin-2-one?
5-amino-1-(difluoromethyl)-3-propoxypyridin-2-one has a molecular weight of 218.20 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(difluoromethyl)-3-propoxypyridin-2-one is sourced from PubChem (CID 156564063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).