6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one

C7H6F3IN2O2 — CID 130111172

IUPAC6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1cc(=O)c(OC(F)(F)F)c(I)[nH]1
InChIInChI=1S/C7H6F3IN2O2/c8-7(9,10)15-5-4(14)1-3(2-12)13-6(5)11/h1H,2,12H2,(H,13,14)
InChIKeyMVFKTXDWAQMLLH-UHFFFAOYSA-N
MW334.04 g/mol
LogP1.34
Rot. Bonds2

About 6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one

6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 130111172) has the molecular formula C7H6F3IN2O2 and a molecular weight of 334.04 g/mol. Its IUPAC name is 6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID130111172
Molecular FormulaC7H6F3IN2O2
Molecular Weight334.04 g/mol
Exact Mass333.94
IUPAC Name6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1cc(=O)c(OC(F)(F)F)c(I)[nH]1
InChIInChI=1S/C7H6F3IN2O2/c8-7(9,10)15-5-4(14)1-3(2-12)13-6(5)11/h1H,2,12H2,(H,13,14)
InChIKeyMVFKTXDWAQMLLH-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 130111172) is 6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one is NCc1cc(=O)c(OC(F)(F)F)c(I)[nH]1.
What is the InChIKey of 6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is MVFKTXDWAQMLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3IN2O2/c8-7(9,10)15-5-4(14)1-3(2-12)13-6(5)11/h1H,2,12H2,(H,13,14).
What are the key properties of 6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one?
6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-1H-pyridin-4-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 6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 130111172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).