3-(trifluoromethyl)-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one

C10H12F3NO4 — CID 171872994

IUPAC3-(trifluoromethyl)-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(O)C(O)CCO)cc1C(F)(F)F
InChIInChI=1S/C10H12F3NO4/c11-10(12,13)6-3-5(4-14-9(6)18)8(17)7(16)1-2-15/h3-4,7-8,15-17H,1-2H2,(H,14,18)
InChIKeyGVZDXPBNBAOBDJ-UHFFFAOYSA-N
MW267.20 g/mol
LogP0.17
Rot. Bonds4

About 3-(trifluoromethyl)-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one

3-(trifluoromethyl)-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one (PubChem CID 171872994) has the molecular formula C10H12F3NO4 and a molecular weight of 267.20 g/mol. Its IUPAC name is 3-(trifluoromethyl)-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one
PubChem CID171872994
Molecular FormulaC10H12F3NO4
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name3-(trifluoromethyl)-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(O)C(O)CCO)cc1C(F)(F)F
InChIInChI=1S/C10H12F3NO4/c11-10(12,13)6-3-5(4-14-9(6)18)8(17)7(16)1-2-15/h3-4,7-8,15-17H,1-2H2,(H,14,18)
InChIKeyGVZDXPBNBAOBDJ-UHFFFAOYSA-N
XLogP0.17
TPSA93.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one?
The IUPAC name of 3-(trifluoromethyl)-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one (CID 171872994) is 3-(trifluoromethyl)-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(trifluoromethyl)-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(trifluoromethyl)-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one is O=c1[nH]cc(C(O)C(O)CCO)cc1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one?
The InChIKey is GVZDXPBNBAOBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4/c11-10(12,13)6-3-5(4-14-9(6)18)8(17)7(16)1-2-15/h3-4,7-8,15-17H,1-2H2,(H,14,18).
What are the key properties of 3-(trifluoromethyl)-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one?
3-(trifluoromethyl)-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one has a molecular weight of 267.20 g/mol, XLogP of 0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one is sourced from PubChem (CID 171872994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).