3-amino-1-(3,3,3-trifluoropropyl)pyridin-4-one

C8H9F3N2O — CID 82990006

IUPAC3-amino-1-(3,3,3-trifluoropropyl)pyridin-4-one
SMILESNc1cn(CCC(F)(F)F)ccc1=O
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)2-4-13-3-1-7(14)6(12)5-13/h1,3,5H,2,4,12H2
InChIKeyCLINLTYQPJSUFQ-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.38
Rot. Bonds2

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

3-amino-1-(3,3,3-trifluoropropyl)pyridin-4-one (PubChem CID 82990006) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 3-amino-1-(3,3,3-trifluoropropyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(3,3,3-trifluoropropyl)pyridin-4-one
PubChem CID82990006
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name3-amino-1-(3,3,3-trifluoropropyl)pyridin-4-one
SMILESNc1cn(CCC(F)(F)F)ccc1=O
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)2-4-13-3-1-7(14)6(12)5-13/h1,3,5H,2,4,12H2
InChIKeyCLINLTYQPJSUFQ-UHFFFAOYSA-N
XLogP1.38
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,3,3-trifluoropropyl)pyridin-4-one?
The IUPAC name of 3-amino-1-(3,3,3-trifluoropropyl)pyridin-4-one (CID 82990006) is 3-amino-1-(3,3,3-trifluoropropyl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(3,3,3-trifluoropropyl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(3,3,3-trifluoropropyl)pyridin-4-one is Nc1cn(CCC(F)(F)F)ccc1=O.
What is the InChIKey of 3-amino-1-(3,3,3-trifluoropropyl)pyridin-4-one?
The InChIKey is CLINLTYQPJSUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)2-4-13-3-1-7(14)6(12)5-13/h1,3,5H,2,4,12H2.
What are the key properties of 3-amino-1-(3,3,3-trifluoropropyl)pyridin-4-one?
3-amino-1-(3,3,3-trifluoropropyl)pyridin-4-one has a molecular weight of 206.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,3,3-trifluoropropyl)pyridin-4-one is sourced from PubChem (CID 82990006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).