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

C8H9F3N2O3 — CID 118801075

IUPAC4-(aminomethyl)-6-(hydroxymethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNCc1cc(=O)[nH]c(CO)c1OC(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)16-7-4(2-12)1-6(15)13-5(7)3-14/h1,14H,2-3,12H2,(H,13,15)
InChIKeyNWRFDDVSVUEZFD-UHFFFAOYSA-N
MW238.16 g/mol
LogP0.22
Rot. Bonds3

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

4-(aminomethyl)-6-(hydroxymethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118801075) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(hydroxymethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-(hydroxymethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118801075
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name4-(aminomethyl)-6-(hydroxymethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNCc1cc(=O)[nH]c(CO)c1OC(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)16-7-4(2-12)1-6(15)13-5(7)3-14/h1,14H,2-3,12H2,(H,13,15)
InChIKeyNWRFDDVSVUEZFD-UHFFFAOYSA-N
XLogP0.22
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(hydroxymethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-(aminomethyl)-6-(hydroxymethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 118801075) is 4-(aminomethyl)-6-(hydroxymethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-6-(hydroxymethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-6-(hydroxymethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one is NCc1cc(=O)[nH]c(CO)c1OC(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-6-(hydroxymethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is NWRFDDVSVUEZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c9-8(10,11)16-7-4(2-12)1-6(15)13-5(7)3-14/h1,14H,2-3,12H2,(H,13,15).
What are the key properties of 4-(aminomethyl)-6-(hydroxymethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one?
4-(aminomethyl)-6-(hydroxymethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 238.16 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(hydroxymethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118801075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).