3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one

C8H8F3IN2O — CID 66697558

IUPAC3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(N)c1c(I)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H8F3IN2O/c1-3(13)6-4(12)2-5(8(9,10)11)14-7(6)15/h2-3H,13H2,1H3,(H,14,15)
InChIKeyYQTFGOOSBFNRKQ-UHFFFAOYSA-N
MW332.06 g/mol
LogP2.02
Rot. Bonds1

About 3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one

3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 66697558) has the molecular formula C8H8F3IN2O and a molecular weight of 332.06 g/mol. Its IUPAC name is 3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID66697558
Molecular FormulaC8H8F3IN2O
Molecular Weight332.06 g/mol
Exact Mass331.96
IUPAC Name3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(N)c1c(I)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H8F3IN2O/c1-3(13)6-4(12)2-5(8(9,10)11)14-7(6)15/h2-3H,13H2,1H3,(H,14,15)
InChIKeyYQTFGOOSBFNRKQ-UHFFFAOYSA-N
XLogP2.02
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.06
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Aminomethyl)-6-methyl-4-(trifluoromethyl)-2(1h)-pyridinone
CID 67124055
3-(Aminomethyl)-4-methyl-6-(trifluoromethyl)pyridin-2-ol
CID 71433049
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 84558717
3-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2(1H)-one hydrochloride
CID 90102279
3-(Aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-one hydrochloride HCl salt
CID 90150835
3-(aminomethyl)-4-methyl-6-(trifluoromethyl)pyridin-2(1H)-one hydrochloride
CID 117679980
3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one
CID 121440157
3-[(chloroamino)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 126536605
N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide
CID 134340734
3-[(1R)-1-aminoethyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 33728947
3-[(1S)-1-aminoethyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 33728956
6-(2-Aminoethyl)-4-(trifluoromethyl)pyridin-2-OL
CID 72217030

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one (CID 66697558) is 3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one is CC(N)c1c(I)cc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is YQTFGOOSBFNRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3IN2O/c1-3(13)6-4(12)2-5(8(9,10)11)14-7(6)15/h2-3H,13H2,1H3,(H,14,15).
What are the key properties of 3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 332.06 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-4-iodo-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 66697558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).