3-amino-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one

C7H8F3N3O — CID 152517792

IUPAC3-amino-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one
SMILESCNn1ccc(C(F)(F)F)c(N)c1=O
InChIInChI=1S/C7H8F3N3O/c1-12-13-3-2-4(7(8,9)10)5(11)6(13)14/h2-3,12H,11H2,1H3
InChIKeyYGWSGNUTDJBTPC-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.62
Rot. Bonds1

About 3-amino-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one

3-amino-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one (PubChem CID 152517792) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 3-amino-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one
PubChem CID152517792
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name3-amino-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one
SMILESCNn1ccc(C(F)(F)F)c(N)c1=O
InChIInChI=1S/C7H8F3N3O/c1-12-13-3-2-4(7(8,9)10)5(11)6(13)14/h2-3,12H,11H2,1H3
InChIKeyYGWSGNUTDJBTPC-UHFFFAOYSA-N
XLogP0.62
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one (CID 152517792) is 3-amino-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one is CNn1ccc(C(F)(F)F)c(N)c1=O.
What is the InChIKey of 3-amino-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is YGWSGNUTDJBTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-12-13-3-2-4(7(8,9)10)5(11)6(13)14/h2-3,12H,11H2,1H3.
What are the key properties of 3-amino-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one?
3-amino-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 207.16 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 152517792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).