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

C7H6F3NO3 — CID 130092956

IUPAC5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CO)cc1OC(F)(F)F
InChIInChI=1S/C7H6F3NO3/c8-7(9,10)14-5-1-4(3-12)2-11-6(5)13/h1-2,12H,3H2,(H,11,13)
InChIKeyGLBXWAMBIPCPJA-UHFFFAOYSA-N
MW209.12 g/mol
LogP0.77
Rot. Bonds2

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

5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130092956) has the molecular formula C7H6F3NO3 and a molecular weight of 209.12 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130092956
Molecular FormulaC7H6F3NO3
Molecular Weight209.12 g/mol
Exact Mass209.03
IUPAC Name5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CO)cc1OC(F)(F)F
InChIInChI=1S/C7H6F3NO3/c8-7(9,10)14-5-1-4(3-12)2-11-6(5)13/h1-2,12H,3H2,(H,11,13)
InChIKeyGLBXWAMBIPCPJA-UHFFFAOYSA-N
XLogP0.77
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-3-methoxy-5-(trifluoromethyl)pyridine
CID 23049010
6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 130092983
4-(Difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118812576
4-(Difluoromethyl)-5-(hydroxymethyl)-3-methoxypyridin-2-ol
CID 118818107
4-(Difluoromethyl)-5-(hydroxymethyl)pyridine-2,3-diol
CID 118840787
5-(difluoromethyl)-4-(hydroxymethyl)-3-methoxy-1H-pyridin-2-one
CID 130083431
5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one
CID 130088807
5-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092714
5-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092805
5-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092877
5-(Difluoromethyl)-3-methoxypyridin-2-ol
CID 130096973
5-(difluoromethyl)-4-hydroxy-3-methoxy-1H-pyridin-2-one
CID 130100079

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one (CID 130092956) is 5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(CO)cc1OC(F)(F)F.
What is the InChIKey of 5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is GLBXWAMBIPCPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3/c8-7(9,10)14-5-1-4(3-12)2-11-6(5)13/h1-2,12H,3H2,(H,11,13).
What are the key properties of 5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one?
5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 209.12 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130092956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).