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

C10H14F2N2O2 — CID 156802829

IUPAC1-(difluoromethyl)-5-(methylamino)-3-propoxypyridin-2-one
SMILESCCCOc1cc(NC)cn(C(F)F)c1=O
InChIInChI=1S/C10H14F2N2O2/c1-3-4-16-8-5-7(13-2)6-14(9(8)15)10(11)12/h5-6,10,13H,3-4H2,1-2H3
InChIKeyIQCBLOKEYIQUFV-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.07
Rot. Bonds5

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

1-(difluoromethyl)-5-(methylamino)-3-propoxypyridin-2-one (PubChem CID 156802829) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-(methylamino)-3-propoxypyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-5-(methylamino)-3-propoxypyridin-2-one
PubChem CID156802829
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name1-(difluoromethyl)-5-(methylamino)-3-propoxypyridin-2-one
SMILESCCCOc1cc(NC)cn(C(F)F)c1=O
InChIInChI=1S/C10H14F2N2O2/c1-3-4-16-8-5-7(13-2)6-14(9(8)15)10(11)12/h5-6,10,13H,3-4H2,1-2H3
InChIKeyIQCBLOKEYIQUFV-UHFFFAOYSA-N
XLogP2.07
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-(methylamino)-3-propoxypyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-5-(methylamino)-3-propoxypyridin-2-one (CID 156802829) is 1-(difluoromethyl)-5-(methylamino)-3-propoxypyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-5-(methylamino)-3-propoxypyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-5-(methylamino)-3-propoxypyridin-2-one is CCCOc1cc(NC)cn(C(F)F)c1=O.
What is the InChIKey of 1-(difluoromethyl)-5-(methylamino)-3-propoxypyridin-2-one?
The InChIKey is IQCBLOKEYIQUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c1-3-4-16-8-5-7(13-2)6-14(9(8)15)10(11)12/h5-6,10,13H,3-4H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-5-(methylamino)-3-propoxypyridin-2-one?
1-(difluoromethyl)-5-(methylamino)-3-propoxypyridin-2-one has a molecular weight of 232.23 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-(methylamino)-3-propoxypyridin-2-one is sourced from PubChem (CID 156802829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).