1-(2-aminobutyl)-5-(trifluoromethyl)pyridin-2-one

C10H13F3N2O — CID 63279622

IUPAC1-(2-aminobutyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCCC(N)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H13F3N2O/c1-2-8(14)6-15-5-7(10(11,12)13)3-4-9(15)16/h3-5,8H,2,6,14H2,1H3
InChIKeyPZRXKGHQLWHIQH-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.60
Rot. Bonds3

About 1-(2-aminobutyl)-5-(trifluoromethyl)pyridin-2-one

1-(2-aminobutyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63279622) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-(2-aminobutyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-aminobutyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID63279622
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-(2-aminobutyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCCC(N)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H13F3N2O/c1-2-8(14)6-15-5-7(10(11,12)13)3-4-9(15)16/h3-5,8H,2,6,14H2,1H3
InChIKeyPZRXKGHQLWHIQH-UHFFFAOYSA-N
XLogP1.60
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-aminobutyl)-5-(trifluoromethyl)pyridin-2-one (CID 63279622) is 1-(2-aminobutyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-aminobutyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-aminobutyl)-5-(trifluoromethyl)pyridin-2-one is CCC(N)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-(2-aminobutyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is PZRXKGHQLWHIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-2-8(14)6-15-5-7(10(11,12)13)3-4-9(15)16/h3-5,8H,2,6,14H2,1H3.
What are the key properties of 1-(2-aminobutyl)-5-(trifluoromethyl)pyridin-2-one?
1-(2-aminobutyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 234.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobutyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63279622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).