5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one

C7H6F3IN2O2 — CID 130111205

IUPAC5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNCc1c(I)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C7H6F3IN2O2/c8-7(9,10)15-6-3(2-12)4(11)1-5(14)13-6/h1H,2,12H2,(H,13,14)
InChIKeyTXYMNQAGAYKAJP-UHFFFAOYSA-N
MW334.04 g/mol
LogP1.34
Rot. Bonds2

About 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one

5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130111205) has the molecular formula C7H6F3IN2O2 and a molecular weight of 334.04 g/mol. Its IUPAC name is 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130111205
Molecular FormulaC7H6F3IN2O2
Molecular Weight334.04 g/mol
Exact Mass333.94
IUPAC Name5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNCc1c(I)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C7H6F3IN2O2/c8-7(9,10)15-6-3(2-12)4(11)1-5(14)13-6/h1H,2,12H2,(H,13,14)
InChIKeyTXYMNQAGAYKAJP-UHFFFAOYSA-N
XLogP1.34
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.04
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one (CID 130111205) is 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one is NCc1c(I)cc(=O)[nH]c1OC(F)(F)F.
What is the InChIKey of 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is TXYMNQAGAYKAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3IN2O2/c8-7(9,10)15-6-3(2-12)4(11)1-5(14)13-6/h1H,2,12H2,(H,13,14).
What are the key properties of 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one?
5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 334.04 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130111205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).