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

C8H10F2N2O2 — CID 156539475

IUPAC5-amino-1-(difluoromethyl)-3-ethoxypyridin-2-one
SMILESCCOc1cc(N)cn(C(F)F)c1=O
InChIInChI=1S/C8H10F2N2O2/c1-2-14-6-3-5(11)4-12(7(6)13)8(9)10/h3-4,8H,2,11H2,1H3
InChIKeyRRWXLFKOQQOBRI-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.22
Rot. Bonds3

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

5-amino-1-(difluoromethyl)-3-ethoxypyridin-2-one (PubChem CID 156539475) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 5-amino-1-(difluoromethyl)-3-ethoxypyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(difluoromethyl)-3-ethoxypyridin-2-one
PubChem CID156539475
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name5-amino-1-(difluoromethyl)-3-ethoxypyridin-2-one
SMILESCCOc1cc(N)cn(C(F)F)c1=O
InChIInChI=1S/C8H10F2N2O2/c1-2-14-6-3-5(11)4-12(7(6)13)8(9)10/h3-4,8H,2,11H2,1H3
InChIKeyRRWXLFKOQQOBRI-UHFFFAOYSA-N
XLogP1.22
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(difluoromethyl)-3-ethoxypyridin-2-one?
The IUPAC name of 5-amino-1-(difluoromethyl)-3-ethoxypyridin-2-one (CID 156539475) is 5-amino-1-(difluoromethyl)-3-ethoxypyridin-2-one.
What is the SMILES notation for 5-amino-1-(difluoromethyl)-3-ethoxypyridin-2-one?
The canonical SMILES for 5-amino-1-(difluoromethyl)-3-ethoxypyridin-2-one is CCOc1cc(N)cn(C(F)F)c1=O.
What is the InChIKey of 5-amino-1-(difluoromethyl)-3-ethoxypyridin-2-one?
The InChIKey is RRWXLFKOQQOBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-2-14-6-3-5(11)4-12(7(6)13)8(9)10/h3-4,8H,2,11H2,1H3.
What are the key properties of 5-amino-1-(difluoromethyl)-3-ethoxypyridin-2-one?
5-amino-1-(difluoromethyl)-3-ethoxypyridin-2-one has a molecular weight of 204.18 g/mol, XLogP of 1.22, 3 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-ethoxypyridin-2-one is sourced from PubChem (CID 156539475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).