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

C8H9F3N2O3 — CID 118848207

IUPAC6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCOc1c(OC(F)(F)F)cc(=O)[nH]c1CN
InChIInChI=1S/C8H9F3N2O3/c1-15-7-4(3-12)13-6(14)2-5(7)16-8(9,10)11/h2H,3,12H2,1H3,(H,13,14)
InChIKeyRUAOOHSCPSCFFI-UHFFFAOYSA-N
MW238.16 g/mol
LogP0.74
Rot. Bonds3

About 6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one

6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118848207) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118848207
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCOc1c(OC(F)(F)F)cc(=O)[nH]c1CN
InChIInChI=1S/C8H9F3N2O3/c1-15-7-4(3-12)13-6(14)2-5(7)16-8(9,10)11/h2H,3,12H2,1H3,(H,13,14)
InChIKeyRUAOOHSCPSCFFI-UHFFFAOYSA-N
XLogP0.74
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-6-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118834977
5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111016
methyl 2-[3-methyl-6-oxo-4-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134658759
6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 134663823
6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111759
5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131214048
6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 131614037
[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666113
2-(chloromethyl)-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 118809858
6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111993
2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131311062
5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134658933

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one (CID 118848207) is 6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one is COc1c(OC(F)(F)F)cc(=O)[nH]c1CN.
What is the InChIKey of 6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is RUAOOHSCPSCFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c1-15-7-4(3-12)13-6(14)2-5(7)16-8(9,10)11/h2H,3,12H2,1H3,(H,13,14).
What are the key properties of 6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one?
6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 238.16 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118848207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).