1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one

C9H11F3N2O — CID 81319762

IUPAC1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one
SMILESNCCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-3-1-4-8(15)14(7)6-2-5-13/h1,3-4H,2,5-6,13H2
InChIKeyIKKSKSZZLVLCLB-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.22
Rot. Bonds3

About 1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one

1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319762) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319762
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one
SMILESNCCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-3-1-4-8(15)14(7)6-2-5-13/h1,3-4H,2,5-6,13H2
InChIKeyIKKSKSZZLVLCLB-UHFFFAOYSA-N
XLogP1.22
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one (CID 81319762) is 1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one is NCCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is IKKSKSZZLVLCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)7-3-1-4-8(15)14(7)6-2-5-13/h1,3-4H,2,5-6,13H2.
What are the key properties of 1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one?
1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 220.19 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).