5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one

C14H13ClFNO — CID 176639899

IUPAC5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one
SMILESCC(C)c1cc(F)cc(-c2ccc(=O)[nH]c2)c1Cl
InChIInChI=1S/C14H13ClFNO/c1-8(2)11-5-10(16)6-12(14(11)15)9-3-4-13(18)17-7-9/h3-8H,1-2H3,(H,17,18)
InChIKeyOKBRIVFXNDUCNL-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.96
Rot. Bonds2

About 5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one

5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one (PubChem CID 176639899) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one
PubChem CID176639899
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one
SMILESCC(C)c1cc(F)cc(-c2ccc(=O)[nH]c2)c1Cl
InChIInChI=1S/C14H13ClFNO/c1-8(2)11-5-10(16)6-12(14(11)15)9-3-4-13(18)17-7-9/h3-8H,1-2H3,(H,17,18)
InChIKeyOKBRIVFXNDUCNL-UHFFFAOYSA-N
XLogP3.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-allyl-3-(2-chloro-6-fluorophenyl)acrylamide
CID 1744810
4-chloro-5-(4-fluorophenyl)-1H-pyridin-2-one
CID 90095686
4-(4-fluorophenyl)-5-propan-2-yl-1H-pyridin-2-one
CID 138726386
5-fluoro-4-(4-fluoro-3-methylphenyl)-1H-pyridin-2-one
CID 141343281
5-fluoro-4-(2-fluoro-3-methylphenyl)-1H-pyridin-2-one
CID 141343284
4-(4-chloro-2-fluorophenyl)-5-fluoro-1H-pyridin-2-one
CID 141343293
3-(4-chloro-3-fluorophenyl)-N-methylprop-2-enamide
CID 142691952
5-benzyl-4-chloro-3-fluoro-1H-pyridin-2-one
CID 151340850
3-chloro-5-(2-chloro-5-fluoro-3-methylphenyl)-1H-pyridin-2-one
CID 168935010
4-(2-Chloro-4-fluorophenyl)-5-(3,5-dimethylphenyl)-1-methylpyridin-2-one
CID 170562362
5-(3-fluoro-5-methylphenyl)-1H-pyridin-2-one
CID 175857682
3-chloro-5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one
CID 176639887

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one?
The IUPAC name of 5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one (CID 176639899) is 5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one is CC(C)c1cc(F)cc(-c2ccc(=O)[nH]c2)c1Cl.
What is the InChIKey of 5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one?
The InChIKey is OKBRIVFXNDUCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-8(2)11-5-10(16)6-12(14(11)15)9-3-4-13(18)17-7-9/h3-8H,1-2H3,(H,17,18).
What are the key properties of 5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one?
5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one has a molecular weight of 265.72 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoro-3-propan-2-ylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 176639899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).