5-amino-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one

C9H11F3N2O — CID 79355030

IUPAC5-amino-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one
SMILESCc1cc(=O)n(CCC(F)(F)F)cc1N
InChIInChI=1S/C9H11F3N2O/c1-6-4-8(15)14(5-7(6)13)3-2-9(10,11)12/h4-5H,2-3,13H2,1H3
InChIKeyNQUQTOPEGBQFJN-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.69
Rot. Bonds2

About 5-amino-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one

5-amino-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one (PubChem CID 79355030) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 5-amino-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one
PubChem CID79355030
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name5-amino-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one
SMILESCc1cc(=O)n(CCC(F)(F)F)cc1N
InChIInChI=1S/C9H11F3N2O/c1-6-4-8(15)14(5-7(6)13)3-2-9(10,11)12/h4-5H,2-3,13H2,1H3
InChIKeyNQUQTOPEGBQFJN-UHFFFAOYSA-N
XLogP1.69
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one?
The IUPAC name of 5-amino-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one (CID 79355030) is 5-amino-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one.
What is the SMILES notation for 5-amino-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one?
The canonical SMILES for 5-amino-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one is Cc1cc(=O)n(CCC(F)(F)F)cc1N.
What is the InChIKey of 5-amino-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one?
The InChIKey is NQUQTOPEGBQFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6-4-8(15)14(5-7(6)13)3-2-9(10,11)12/h4-5H,2-3,13H2,1H3.
What are the key properties of 5-amino-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one?
5-amino-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one has a molecular weight of 220.19 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one is sourced from PubChem (CID 79355030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).