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

C11H7ClFNO — CID 53217888

IUPAC5-(3-chloro-4-fluorophenyl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(F)c(Cl)c2)c[nH]1
InChIInChI=1S/C11H7ClFNO/c12-9-5-7(1-3-10(9)13)8-2-4-11(15)14-6-8/h1-6H,(H,14,15)
InChIKeyDDJCUKUVKBQBCG-UHFFFAOYSA-N
MW223.63 g/mol
LogP2.83
Rot. Bonds1

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

5-(3-chloro-4-fluorophenyl)-1H-pyridin-2-one (PubChem CID 53217888) has the molecular formula C11H7ClFNO and a molecular weight of 223.63 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-1H-pyridin-2-one
PubChem CID53217888
Molecular FormulaC11H7ClFNO
Molecular Weight223.63 g/mol
Exact Mass223.02
IUPAC Name5-(3-chloro-4-fluorophenyl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(F)c(Cl)c2)c[nH]1
InChIInChI=1S/C11H7ClFNO/c12-9-5-7(1-3-10(9)13)8-2-4-11(15)14-6-8/h1-6H,(H,14,15)
InChIKeyDDJCUKUVKBQBCG-UHFFFAOYSA-N
XLogP2.83
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-1H-pyridin-2-one?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-1H-pyridin-2-one (CID 53217888) is 5-(3-chloro-4-fluorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-1H-pyridin-2-one is O=c1ccc(-c2ccc(F)c(Cl)c2)c[nH]1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-1H-pyridin-2-one?
The InChIKey is DDJCUKUVKBQBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO/c12-9-5-7(1-3-10(9)13)8-2-4-11(15)14-6-8/h1-6H,(H,14,15).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-1H-pyridin-2-one?
5-(3-chloro-4-fluorophenyl)-1H-pyridin-2-one has a molecular weight of 223.63 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 53217888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).