5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one

C17H13BrFNOS — CID 146310854

IUPAC5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one
SMILESCCn1c(-c2ccc(F)cc2)c(-c2ccsc2Br)ccc1=O
InChIInChI=1S/C17H13BrFNOS/c1-2-20-15(21)8-7-13(14-9-10-22-17(14)18)16(20)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3
InChIKeyXPAGSCDHCQCCSO-UHFFFAOYSA-N
MW378.27 g/mol
LogP5.17
Rot. Bonds3

About 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one

5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one (PubChem CID 146310854) has the molecular formula C17H13BrFNOS and a molecular weight of 378.27 g/mol. Its IUPAC name is 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one
PubChem CID146310854
Molecular FormulaC17H13BrFNOS
Molecular Weight378.27 g/mol
Exact Mass376.99
IUPAC Name5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one
SMILESCCn1c(-c2ccc(F)cc2)c(-c2ccsc2Br)ccc1=O
InChIInChI=1S/C17H13BrFNOS/c1-2-20-15(21)8-7-13(14-9-10-22-17(14)18)16(20)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3
InChIKeyXPAGSCDHCQCCSO-UHFFFAOYSA-N
XLogP5.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.27
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one?
The IUPAC name of 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one (CID 146310854) is 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one?
The canonical SMILES for 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one is CCn1c(-c2ccc(F)cc2)c(-c2ccsc2Br)ccc1=O.
What is the InChIKey of 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one?
The InChIKey is XPAGSCDHCQCCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNOS/c1-2-20-15(21)8-7-13(14-9-10-22-17(14)18)16(20)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3.
What are the key properties of 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one?
5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one has a molecular weight of 378.27 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromothiophen-3-yl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 146310854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).