3-(aminomethyl)-1-propyl-6-(trifluoromethyl)pyridin-2-one

C10H13F3N2O — CID 105494009

IUPAC3-(aminomethyl)-1-propyl-6-(trifluoromethyl)pyridin-2-one
SMILESCCCn1c(C(F)(F)F)ccc(CN)c1=O
InChIInChI=1S/C10H13F3N2O/c1-2-5-15-8(10(11,12)13)4-3-7(6-14)9(15)16/h3-4H,2,5-6,14H2,1H3
InChIKeyUYPLEVXFGBBBNP-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.74
Rot. Bonds3

About 3-(aminomethyl)-1-propyl-6-(trifluoromethyl)pyridin-2-one

3-(aminomethyl)-1-propyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 105494009) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-(aminomethyl)-1-propyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-propyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID105494009
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name3-(aminomethyl)-1-propyl-6-(trifluoromethyl)pyridin-2-one
SMILESCCCn1c(C(F)(F)F)ccc(CN)c1=O
InChIInChI=1S/C10H13F3N2O/c1-2-5-15-8(10(11,12)13)4-3-7(6-14)9(15)16/h3-4H,2,5-6,14H2,1H3
InChIKeyUYPLEVXFGBBBNP-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-propyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-propyl-6-(trifluoromethyl)pyridin-2-one (CID 105494009) is 3-(aminomethyl)-1-propyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-propyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-propyl-6-(trifluoromethyl)pyridin-2-one is CCCn1c(C(F)(F)F)ccc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-propyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is UYPLEVXFGBBBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-2-5-15-8(10(11,12)13)4-3-7(6-14)9(15)16/h3-4H,2,5-6,14H2,1H3.
What are the key properties of 3-(aminomethyl)-1-propyl-6-(trifluoromethyl)pyridin-2-one?
3-(aminomethyl)-1-propyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 234.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-propyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 105494009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).