3-amino-1-butyl-6-(trifluoromethyl)pyridin-2-one

C10H13F3N2O — CID 39871955

IUPAC3-amino-1-butyl-6-(trifluoromethyl)pyridin-2-one
SMILESCCCCn1c(C(F)(F)F)ccc(N)c1=O
InChIInChI=1S/C10H13F3N2O/c1-2-3-6-15-8(10(11,12)13)5-4-7(14)9(15)16/h4-5H,2-3,6,14H2,1H3
InChIKeyNDDHWKUKWFGLCU-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.25
Rot. Bonds3

About 3-amino-1-butyl-6-(trifluoromethyl)pyridin-2-one

3-amino-1-butyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 39871955) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-amino-1-butyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-butyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID39871955
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name3-amino-1-butyl-6-(trifluoromethyl)pyridin-2-one
SMILESCCCCn1c(C(F)(F)F)ccc(N)c1=O
InChIInChI=1S/C10H13F3N2O/c1-2-3-6-15-8(10(11,12)13)5-4-7(14)9(15)16/h4-5H,2-3,6,14H2,1H3
InChIKeyNDDHWKUKWFGLCU-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-butyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-butyl-6-(trifluoromethyl)pyridin-2-one (CID 39871955) is 3-amino-1-butyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-butyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-butyl-6-(trifluoromethyl)pyridin-2-one is CCCCn1c(C(F)(F)F)ccc(N)c1=O.
What is the InChIKey of 3-amino-1-butyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is NDDHWKUKWFGLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-2-3-6-15-8(10(11,12)13)5-4-7(14)9(15)16/h4-5H,2-3,6,14H2,1H3.
What are the key properties of 3-amino-1-butyl-6-(trifluoromethyl)pyridin-2-one?
3-amino-1-butyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 234.22 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-butyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 39871955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).