2,3-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one

C9H10F3NO2 — CID 59818293

IUPAC2,3-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one
SMILESCc1[nH]cc(C(O)C(F)(F)F)c(=O)c1C
InChIInChI=1S/C9H10F3NO2/c1-4-5(2)13-3-6(7(4)14)8(15)9(10,11)12/h3,8,15H,1-2H3,(H,13,14)
InChIKeyLRCUPDYAOJSKQZ-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.59
Rot. Bonds1

About 2,3-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one

2,3-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one (PubChem CID 59818293) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 2,3-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one
PubChem CID59818293
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name2,3-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one
SMILESCc1[nH]cc(C(O)C(F)(F)F)c(=O)c1C
InChIInChI=1S/C9H10F3NO2/c1-4-5(2)13-3-6(7(4)14)8(15)9(10,11)12/h3,8,15H,1-2H3,(H,13,14)
InChIKeyLRCUPDYAOJSKQZ-UHFFFAOYSA-N
XLogP1.59
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one?
The IUPAC name of 2,3-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one (CID 59818293) is 2,3-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2,3-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one?
The canonical SMILES for 2,3-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one is Cc1[nH]cc(C(O)C(F)(F)F)c(=O)c1C.
What is the InChIKey of 2,3-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one?
The InChIKey is LRCUPDYAOJSKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-4-5(2)13-3-6(7(4)14)8(15)9(10,11)12/h3,8,15H,1-2H3,(H,13,14).
What are the key properties of 2,3-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one?
2,3-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one has a molecular weight of 221.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one is sourced from PubChem (CID 59818293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).