5-benzyl-4-chloro-3-fluoro-1H-pyridin-2-one

C12H9ClFNO — CID 151340850

IUPAC5-benzyl-4-chloro-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cc2ccccc2)c(Cl)c1F
InChIInChI=1S/C12H9ClFNO/c13-10-9(7-15-12(16)11(10)14)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16)
InChIKeyOKLCOKZTRYUFSB-UHFFFAOYSA-N
MW237.66 g/mol
LogP2.76
Rot. Bonds2

About 5-benzyl-4-chloro-3-fluoro-1H-pyridin-2-one

5-benzyl-4-chloro-3-fluoro-1H-pyridin-2-one (PubChem CID 151340850) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 5-benzyl-4-chloro-3-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-benzyl-4-chloro-3-fluoro-1H-pyridin-2-one
PubChem CID151340850
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name5-benzyl-4-chloro-3-fluoro-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cc2ccccc2)c(Cl)c1F
InChIInChI=1S/C12H9ClFNO/c13-10-9(7-15-12(16)11(10)14)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16)
InChIKeyOKLCOKZTRYUFSB-UHFFFAOYSA-N
XLogP2.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-chloro-3-fluoro-1H-pyridin-2-one?
The IUPAC name of 5-benzyl-4-chloro-3-fluoro-1H-pyridin-2-one (CID 151340850) is 5-benzyl-4-chloro-3-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 5-benzyl-4-chloro-3-fluoro-1H-pyridin-2-one?
The canonical SMILES for 5-benzyl-4-chloro-3-fluoro-1H-pyridin-2-one is O=c1[nH]cc(Cc2ccccc2)c(Cl)c1F.
What is the InChIKey of 5-benzyl-4-chloro-3-fluoro-1H-pyridin-2-one?
The InChIKey is OKLCOKZTRYUFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-10-9(7-15-12(16)11(10)14)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16).
What are the key properties of 5-benzyl-4-chloro-3-fluoro-1H-pyridin-2-one?
5-benzyl-4-chloro-3-fluoro-1H-pyridin-2-one has a molecular weight of 237.66 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-chloro-3-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 151340850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).