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

C12H9ClFNO — CID 105396351

IUPAC5-(2-chloro-5-fluorophenyl)-3-methyl-1H-pyridin-2-one
SMILESCc1cc(-c2cc(F)ccc2Cl)c[nH]c1=O
InChIInChI=1S/C12H9ClFNO/c1-7-4-8(6-15-12(7)16)10-5-9(14)2-3-11(10)13/h2-6H,1H3,(H,15,16)
InChIKeyKUXWIXONAUYFOJ-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.14
Rot. Bonds1

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

5-(2-chloro-5-fluorophenyl)-3-methyl-1H-pyridin-2-one (PubChem CID 105396351) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 5-(2-chloro-5-fluorophenyl)-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2-chloro-5-fluorophenyl)-3-methyl-1H-pyridin-2-one
PubChem CID105396351
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name5-(2-chloro-5-fluorophenyl)-3-methyl-1H-pyridin-2-one
SMILESCc1cc(-c2cc(F)ccc2Cl)c[nH]c1=O
InChIInChI=1S/C12H9ClFNO/c1-7-4-8(6-15-12(7)16)10-5-9(14)2-3-11(10)13/h2-6H,1H3,(H,15,16)
InChIKeyKUXWIXONAUYFOJ-UHFFFAOYSA-N
XLogP3.14
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluorophenyl)-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(2-chloro-5-fluorophenyl)-3-methyl-1H-pyridin-2-one (CID 105396351) is 5-(2-chloro-5-fluorophenyl)-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(2-chloro-5-fluorophenyl)-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(2-chloro-5-fluorophenyl)-3-methyl-1H-pyridin-2-one is Cc1cc(-c2cc(F)ccc2Cl)c[nH]c1=O.
What is the InChIKey of 5-(2-chloro-5-fluorophenyl)-3-methyl-1H-pyridin-2-one?
The InChIKey is KUXWIXONAUYFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c1-7-4-8(6-15-12(7)16)10-5-9(14)2-3-11(10)13/h2-6H,1H3,(H,15,16).
What are the key properties of 5-(2-chloro-5-fluorophenyl)-3-methyl-1H-pyridin-2-one?
5-(2-chloro-5-fluorophenyl)-3-methyl-1H-pyridin-2-one has a molecular weight of 237.66 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluorophenyl)-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 105396351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).