3-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one

C7H7F3N2O — CID 62101459

IUPAC3-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESNc1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)4-12-3-1-2-5(11)6(12)13/h1-3H,4,11H2
InChIKeyBYGRUUJKXBHKIK-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.99
Rot. Bonds1

About 3-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one

3-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 62101459) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 3-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID62101459
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name3-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESNc1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)4-12-3-1-2-5(11)6(12)13/h1-3H,4,11H2
InChIKeyBYGRUUJKXBHKIK-UHFFFAOYSA-N
XLogP0.99
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 62101459) is 3-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one is Nc1cccn(CC(F)(F)F)c1=O.
What is the InChIKey of 3-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is BYGRUUJKXBHKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)4-12-3-1-2-5(11)6(12)13/h1-3H,4,11H2.
What are the key properties of 3-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one?
3-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 192.14 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 62101459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).