2-(1-chloro-2,2,2-trifluoroethyl)-5-hydroxy-1H-pyridin-4-one

C7H5ClF3NO2 — CID 90346847

IUPAC2-(1-chloro-2,2,2-trifluoroethyl)-5-hydroxy-1H-pyridin-4-one
SMILESO=c1cc(C(Cl)C(F)(F)F)[nH]cc1O
InChIInChI=1S/C7H5ClF3NO2/c8-6(7(9,10)11)3-1-4(13)5(14)2-12-3/h1-2,6,14H,(H,12,13)
InChIKeyPTERJYCCTIRWTN-UHFFFAOYSA-N
MW227.57 g/mol
LogP1.92
Rot. Bonds1

About 2-(1-chloro-2,2,2-trifluoroethyl)-5-hydroxy-1H-pyridin-4-one

2-(1-chloro-2,2,2-trifluoroethyl)-5-hydroxy-1H-pyridin-4-one (PubChem CID 90346847) has the molecular formula C7H5ClF3NO2 and a molecular weight of 227.57 g/mol. Its IUPAC name is 2-(1-chloro-2,2,2-trifluoroethyl)-5-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(1-chloro-2,2,2-trifluoroethyl)-5-hydroxy-1H-pyridin-4-one
PubChem CID90346847
Molecular FormulaC7H5ClF3NO2
Molecular Weight227.57 g/mol
Exact Mass227.00
IUPAC Name2-(1-chloro-2,2,2-trifluoroethyl)-5-hydroxy-1H-pyridin-4-one
SMILESO=c1cc(C(Cl)C(F)(F)F)[nH]cc1O
InChIInChI=1S/C7H5ClF3NO2/c8-6(7(9,10)11)3-1-4(13)5(14)2-12-3/h1-2,6,14H,(H,12,13)
InChIKeyPTERJYCCTIRWTN-UHFFFAOYSA-N
XLogP1.92
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.57
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2,2,2-trifluoroethyl)-5-hydroxy-1H-pyridin-4-one?
The IUPAC name of 2-(1-chloro-2,2,2-trifluoroethyl)-5-hydroxy-1H-pyridin-4-one (CID 90346847) is 2-(1-chloro-2,2,2-trifluoroethyl)-5-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for 2-(1-chloro-2,2,2-trifluoroethyl)-5-hydroxy-1H-pyridin-4-one?
The canonical SMILES for 2-(1-chloro-2,2,2-trifluoroethyl)-5-hydroxy-1H-pyridin-4-one is O=c1cc(C(Cl)C(F)(F)F)[nH]cc1O.
What is the InChIKey of 2-(1-chloro-2,2,2-trifluoroethyl)-5-hydroxy-1H-pyridin-4-one?
The InChIKey is PTERJYCCTIRWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2/c8-6(7(9,10)11)3-1-4(13)5(14)2-12-3/h1-2,6,14H,(H,12,13).
What are the key properties of 2-(1-chloro-2,2,2-trifluoroethyl)-5-hydroxy-1H-pyridin-4-one?
2-(1-chloro-2,2,2-trifluoroethyl)-5-hydroxy-1H-pyridin-4-one has a molecular weight of 227.57 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2,2,2-trifluoroethyl)-5-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 90346847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).