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

C7H6F3IN2O2 — CID 118842645

IUPAC2-(aminomethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1[nH]c(I)cc(=O)c1OC(F)(F)F
InChIInChI=1S/C7H6F3IN2O2/c8-7(9,10)15-6-3(2-12)13-5(11)1-4(6)14/h1H,2,12H2,(H,13,14)
InChIKeyKYKAOQILIHUQQU-UHFFFAOYSA-N
MW334.04 g/mol
LogP1.34
Rot. Bonds2

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

2-(aminomethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118842645) has the molecular formula C7H6F3IN2O2 and a molecular weight of 334.04 g/mol. Its IUPAC name is 2-(aminomethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118842645
Molecular FormulaC7H6F3IN2O2
Molecular Weight334.04 g/mol
Exact Mass333.94
IUPAC Name2-(aminomethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1[nH]c(I)cc(=O)c1OC(F)(F)F
InChIInChI=1S/C7H6F3IN2O2/c8-7(9,10)15-6-3(2-12)13-5(11)1-4(6)14/h1H,2,12H2,(H,13,14)
InChIKeyKYKAOQILIHUQQU-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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Related Compounds

2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 118803172
2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118803269
2-(Aminomethyl)-6-(difluoromethyl)-4-hydroxy-3-(trifluoromethoxy)pyridine
CID 118808677
2-(aminomethyl)-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118825725
2-(Aminomethyl)-4-hydroxy-6-(trifluoromethoxy)pyridine
CID 118825768
6-iodo-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118827383
2-(Difluoromethyl)-4-hydroxy-6-iodo-3-methoxypyridine
CID 118831922
2-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118848254
2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 119008377
2-(aminomethyl)-6-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
CID 130083195
6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
CID 130083196
6-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111172

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 118842645) is 2-(aminomethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one is NCc1[nH]c(I)cc(=O)c1OC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is KYKAOQILIHUQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3IN2O2/c8-7(9,10)15-6-3(2-12)13-5(11)1-4(6)14/h1H,2,12H2,(H,13,14).
What are the key properties of 2-(aminomethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-(aminomethyl)-6-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 2-(aminomethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118842645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).