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

C7H7F3N2O2 — CID 118803172

IUPAC2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1cc(=O)c(OC(F)(F)F)c[nH]1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)14-6-3-12-4(2-11)1-5(6)13/h1,3H,2,11H2,(H,12,13)
InChIKeyCQWKDMHMWULGCW-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.73
Rot. Bonds2

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

2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118803172) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118803172
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1cc(=O)c(OC(F)(F)F)c[nH]1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)14-6-3-12-4(2-11)1-5(6)13/h1,3H,2,11H2,(H,12,13)
InChIKeyCQWKDMHMWULGCW-UHFFFAOYSA-N
XLogP0.73
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one (CID 118803172) is 2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one is NCc1cc(=O)c(OC(F)(F)F)c[nH]1.
What is the InChIKey of 2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is CQWKDMHMWULGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)14-6-3-12-4(2-11)1-5(6)13/h1,3H,2,11H2,(H,12,13).
What are the key properties of 2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one?
2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 208.14 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118803172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).