5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one

C7H7F3N2O3 — CID 131614035

IUPAC5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNCc1cc(OC(F)(F)F)c(=O)[nH]c1O
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)15-4-1-3(2-11)5(13)12-6(4)14/h1H,2,11H2,(H2,12,13,14)
InChIKeyCEEMEPMVESYBLN-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.44
Rot. Bonds2

About 5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one

5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 131614035) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is 5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID131614035
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNCc1cc(OC(F)(F)F)c(=O)[nH]c1O
InChIInChI=1S/C7H7F3N2O3/c8-7(9,10)15-4-1-3(2-11)5(13)12-6(4)14/h1H,2,11H2,(H2,12,13,14)
InChIKeyCEEMEPMVESYBLN-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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Related Compounds

6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 131614037
3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134664492
2-[5-(aminomethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile
CID 134666956
methyl 2-[2-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134677693
5-(bromomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 134680411
2-[3-(aminomethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridin-4-yl]acetic acid
CID 134681343
methyl 2-[3-methyl-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134678346
methyl 2-[6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134681147
4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118806796
2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline
CID 118995380
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134672573
3-hydroxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118991199

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one (CID 131614035) is 5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one is NCc1cc(OC(F)(F)F)c(=O)[nH]c1O.
What is the InChIKey of 5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is CEEMEPMVESYBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c8-7(9,10)15-4-1-3(2-11)5(13)12-6(4)14/h1H,2,11H2,(H2,12,13,14).
What are the key properties of 5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one?
5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-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 5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 131614035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).