2-(aminomethyl)-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-4-one

C7H7F3N2O3 — CID 131614041

IUPAC2-(aminomethyl)-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1[nH]cc(OC(F)(F)F)c(=O)c1O
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)15-4-2-12-3(1-11)5(13)6(4)14/h2,13H,1,11H2,(H,12,14)
InChIKeyGCCXYOTYPXXDKB-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.44
Rot. Bonds2

About 2-(aminomethyl)-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-4-one

2-(aminomethyl)-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 131614041) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is 2-(aminomethyl)-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID131614041
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name2-(aminomethyl)-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1[nH]cc(OC(F)(F)F)c(=O)c1O
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)15-4-2-12-3(1-11)5(13)6(4)14/h2,13H,1,11H2,(H,12,14)
InChIKeyGCCXYOTYPXXDKB-UHFFFAOYSA-N
XLogP0.44
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-4-one (CID 131614041) is 2-(aminomethyl)-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-4-one is NCc1[nH]cc(OC(F)(F)F)c(=O)c1O.
What is the InChIKey of 2-(aminomethyl)-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is GCCXYOTYPXXDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c8-7(9,10)15-4-2-12-3(1-11)5(13)6(4)14/h2,13H,1,11H2,(H,12,14).
What are the key properties of 2-(aminomethyl)-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-4-one?
2-(aminomethyl)-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 224.14 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 131614041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).