4-methyl-3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one

C8H9F3N2O — CID 166893458

IUPAC4-methyl-3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1NCC(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-5-2-3-12-7(14)6(5)13-4-8(9,10)11/h2-3,13H,4H2,1H3,(H,12,14)
InChIKeyVXEZFKNYGJFJKN-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.66
Rot. Bonds2

About 4-methyl-3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one

4-methyl-3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one (PubChem CID 166893458) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-methyl-3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one
PubChem CID166893458
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name4-methyl-3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1NCC(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-5-2-3-12-7(14)6(5)13-4-8(9,10)11/h2-3,13H,4H2,1H3,(H,12,14)
InChIKeyVXEZFKNYGJFJKN-UHFFFAOYSA-N
XLogP1.66
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one?
The IUPAC name of 4-methyl-3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one (CID 166893458) is 4-methyl-3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one is Cc1cc[nH]c(=O)c1NCC(F)(F)F.
What is the InChIKey of 4-methyl-3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one?
The InChIKey is VXEZFKNYGJFJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5-2-3-12-7(14)6(5)13-4-8(9,10)11/h2-3,13H,4H2,1H3,(H,12,14).
What are the key properties of 4-methyl-3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one?
4-methyl-3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one has a molecular weight of 206.17 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one is sourced from PubChem (CID 166893458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).