3-(aminomethyl)-5-chloro-1-(trifluoromethyl)pyridin-2-one

C7H6ClF3N2O — CID 105484130

IUPAC3-(aminomethyl)-5-chloro-1-(trifluoromethyl)pyridin-2-one
SMILESNCc1cc(Cl)cn(C(F)(F)F)c1=O
InChIInChI=1S/C7H6ClF3N2O/c8-5-1-4(2-12)6(14)13(3-5)7(9,10)11/h1,3H,2,12H2
InChIKeyINDDNARGEOFTOF-UHFFFAOYSA-N
MW226.58 g/mol
LogP1.44
Rot. Bonds1

About 3-(aminomethyl)-5-chloro-1-(trifluoromethyl)pyridin-2-one

3-(aminomethyl)-5-chloro-1-(trifluoromethyl)pyridin-2-one (PubChem CID 105484130) has the molecular formula C7H6ClF3N2O and a molecular weight of 226.58 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-1-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-1-(trifluoromethyl)pyridin-2-one
PubChem CID105484130
Molecular FormulaC7H6ClF3N2O
Molecular Weight226.58 g/mol
Exact Mass226.01
IUPAC Name3-(aminomethyl)-5-chloro-1-(trifluoromethyl)pyridin-2-one
SMILESNCc1cc(Cl)cn(C(F)(F)F)c1=O
InChIInChI=1S/C7H6ClF3N2O/c8-5-1-4(2-12)6(14)13(3-5)7(9,10)11/h1,3H,2,12H2
InChIKeyINDDNARGEOFTOF-UHFFFAOYSA-N
XLogP1.44
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.58
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-1-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-5-chloro-1-(trifluoromethyl)pyridin-2-one (CID 105484130) is 3-(aminomethyl)-5-chloro-1-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-1-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-5-chloro-1-(trifluoromethyl)pyridin-2-one is NCc1cc(Cl)cn(C(F)(F)F)c1=O.
What is the InChIKey of 3-(aminomethyl)-5-chloro-1-(trifluoromethyl)pyridin-2-one?
The InChIKey is INDDNARGEOFTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O/c8-5-1-4(2-12)6(14)13(3-5)7(9,10)11/h1,3H,2,12H2.
What are the key properties of 3-(aminomethyl)-5-chloro-1-(trifluoromethyl)pyridin-2-one?
3-(aminomethyl)-5-chloro-1-(trifluoromethyl)pyridin-2-one has a molecular weight of 226.58 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-1-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 105484130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).