5-amino-1-methyl-4-(trifluoromethyl)pyridin-2-one

C7H7F3N2O — CID 105445630

IUPAC5-amino-1-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(N)c(C(F)(F)F)cc1=O
InChIInChI=1S/C7H7F3N2O/c1-12-3-5(11)4(2-6(12)13)7(8,9)10/h2-3H,11H2,1H3
InChIKeyPGWMZCTUOWFZCG-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.99
Rot. Bonds

About 5-amino-1-methyl-4-(trifluoromethyl)pyridin-2-one

5-amino-1-methyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 105445630) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 5-amino-1-methyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-methyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID105445630
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name5-amino-1-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(N)c(C(F)(F)F)cc1=O
InChIInChI=1S/C7H7F3N2O/c1-12-3-5(11)4(2-6(12)13)7(8,9)10/h2-3H,11H2,1H3
InChIKeyPGWMZCTUOWFZCG-UHFFFAOYSA-N
XLogP0.99
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-amino-1-methyl-4-(trifluoromethyl)pyridin-2-one (CID 105445630) is 5-amino-1-methyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-1-methyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-amino-1-methyl-4-(trifluoromethyl)pyridin-2-one is Cn1cc(N)c(C(F)(F)F)cc1=O.
What is the InChIKey of 5-amino-1-methyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is PGWMZCTUOWFZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-12-3-5(11)4(2-6(12)13)7(8,9)10/h2-3H,11H2,1H3.
What are the key properties of 5-amino-1-methyl-4-(trifluoromethyl)pyridin-2-one?
5-amino-1-methyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 192.14 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 105445630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).