5-(3-chloro-4-fluorophenyl)-3-hydroxy-1H-pyridin-2-one

C11H7ClFNO2 — CID 122189979

IUPAC5-(3-chloro-4-fluorophenyl)-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ccc(F)c(Cl)c2)cc1O
InChIInChI=1S/C11H7ClFNO2/c12-8-3-6(1-2-9(8)13)7-4-10(15)11(16)14-5-7/h1-5,15H,(H,14,16)
InChIKeyKLZFNBXYOSUWEZ-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.54
Rot. Bonds1

About 5-(3-chloro-4-fluorophenyl)-3-hydroxy-1H-pyridin-2-one

5-(3-chloro-4-fluorophenyl)-3-hydroxy-1H-pyridin-2-one (PubChem CID 122189979) has the molecular formula C11H7ClFNO2 and a molecular weight of 239.63 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-3-hydroxy-1H-pyridin-2-one
PubChem CID122189979
Molecular FormulaC11H7ClFNO2
Molecular Weight239.63 g/mol
Exact Mass239.01
IUPAC Name5-(3-chloro-4-fluorophenyl)-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ccc(F)c(Cl)c2)cc1O
InChIInChI=1S/C11H7ClFNO2/c12-8-3-6(1-2-9(8)13)7-4-10(15)11(16)14-5-7/h1-5,15H,(H,14,16)
InChIKeyKLZFNBXYOSUWEZ-UHFFFAOYSA-N
XLogP2.54
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-hydroxy-1H-pyridin-2-one (CID 122189979) is 5-(3-chloro-4-fluorophenyl)-3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-3-hydroxy-1H-pyridin-2-one is O=c1[nH]cc(-c2ccc(F)c(Cl)c2)cc1O.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-3-hydroxy-1H-pyridin-2-one?
The InChIKey is KLZFNBXYOSUWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO2/c12-8-3-6(1-2-9(8)13)7-4-10(15)11(16)14-5-7/h1-5,15H,(H,14,16).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-3-hydroxy-1H-pyridin-2-one?
5-(3-chloro-4-fluorophenyl)-3-hydroxy-1H-pyridin-2-one has a molecular weight of 239.63 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 122189979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).