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

C8H9F3N2O3 — CID 118825520

IUPAC2-(aminomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1[nH]cc(CO)c(=O)c1OC(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)16-7-5(1-12)13-2-4(3-14)6(7)15/h2,14H,1,3,12H2,(H,13,15)
InChIKeyPHGXKDILTHWWIX-UHFFFAOYSA-N
MW238.16 g/mol
LogP0.22
Rot. Bonds3

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

2-(aminomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118825520) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118825520
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name2-(aminomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1[nH]cc(CO)c(=O)c1OC(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c9-8(10,11)16-7-5(1-12)13-2-4(3-14)6(7)15/h2,14H,1,3,12H2,(H,13,15)
InChIKeyPHGXKDILTHWWIX-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 2-(aminomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 118825520) is 2-(aminomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is NCc1[nH]cc(CO)c(=O)c1OC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is PHGXKDILTHWWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c9-8(10,11)16-7-5(1-12)13-2-4(3-14)6(7)15/h2,14H,1,3,12H2,(H,13,15).
What are the key properties of 2-(aminomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-(aminomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-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 2-(aminomethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118825520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).