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

C8H8F3NO4 — CID 118816283

IUPAC3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCOc1c[nH]c(OC(F)(F)F)c(CO)c1=O
InChIInChI=1S/C8H8F3NO4/c1-15-5-2-12-7(16-8(9,10)11)4(3-13)6(5)14/h2,13H,3H2,1H3,(H,12,14)
InChIKeyWZZNVZNOFAHDKN-UHFFFAOYSA-N
MW239.15 g/mol
LogP0.77
Rot. Bonds3

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

3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118816283) has the molecular formula C8H8F3NO4 and a molecular weight of 239.15 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118816283
Molecular FormulaC8H8F3NO4
Molecular Weight239.15 g/mol
Exact Mass239.04
IUPAC Name3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCOc1c[nH]c(OC(F)(F)F)c(CO)c1=O
InChIInChI=1S/C8H8F3NO4/c1-15-5-2-12-7(16-8(9,10)11)4(3-13)6(5)14/h2,13H,3H2,1H3,(H,12,14)
InChIKeyWZZNVZNOFAHDKN-UHFFFAOYSA-N
XLogP0.77
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-methoxy-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134666527
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 134666680
methyl 2-[5-iodo-4-oxo-6-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134659695
3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 134658857
methyl 3-(chloromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carboxylate
CID 134662273
[2-methoxy-6-(trifluoromethoxy)phenyl]methanol
CID 134638773
5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 134677290
3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one
CID 130083415
4-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one
CID 118817883
methyl 2-[3-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134666451
3-(bromomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 134666722
2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 119023237

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one (CID 118816283) is 3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one is COc1c[nH]c(OC(F)(F)F)c(CO)c1=O.
What is the InChIKey of 3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is WZZNVZNOFAHDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO4/c1-15-5-2-12-7(16-8(9,10)11)4(3-13)6(5)14/h2,13H,3H2,1H3,(H,12,14).
What are the key properties of 3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one?
3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 239.15 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118816283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).