5-bromo-1-[2-(9H-fluoren-3-yl)-2-oxoethyl]pyridin-2-one

C20H14BrNO2 — CID 8893776

IUPAC5-bromo-1-[2-(9H-fluoren-3-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C20H14BrNO2/c21-16-7-8-20(24)22(11-16)12-19(23)15-6-5-14-9-13-3-1-2-4-17(13)18(14)10-15/h1-8,10-11H,9,12H2
InChIKeyGUSPFQHXBYLHPK-UHFFFAOYSA-N
MW380.24 g/mol
LogP4.06
Rot. Bonds3

About 5-bromo-1-[2-(9H-fluoren-3-yl)-2-oxoethyl]pyridin-2-one

5-bromo-1-[2-(9H-fluoren-3-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 8893776) has the molecular formula C20H14BrNO2 and a molecular weight of 380.24 g/mol. Its IUPAC name is 5-bromo-1-[2-(9H-fluoren-3-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(9H-fluoren-3-yl)-2-oxoethyl]pyridin-2-one
PubChem CID8893776
Molecular FormulaC20H14BrNO2
Molecular Weight380.24 g/mol
Exact Mass379.02
IUPAC Name5-bromo-1-[2-(9H-fluoren-3-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C20H14BrNO2/c21-16-7-8-20(24)22(11-16)12-19(23)15-6-5-14-9-13-3-1-2-4-17(13)18(14)10-15/h1-8,10-11H,9,12H2
InChIKeyGUSPFQHXBYLHPK-UHFFFAOYSA-N
XLogP4.06
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(9H-fluoren-3-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(9H-fluoren-3-yl)-2-oxoethyl]pyridin-2-one (CID 8893776) is 5-bromo-1-[2-(9H-fluoren-3-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(9H-fluoren-3-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(9H-fluoren-3-yl)-2-oxoethyl]pyridin-2-one is O=C(Cn1cc(Br)ccc1=O)c1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of 5-bromo-1-[2-(9H-fluoren-3-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is GUSPFQHXBYLHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO2/c21-16-7-8-20(24)22(11-16)12-19(23)15-6-5-14-9-13-3-1-2-4-17(13)18(14)10-15/h1-8,10-11H,9,12H2.
What are the key properties of 5-bromo-1-[2-(9H-fluoren-3-yl)-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-(9H-fluoren-3-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 380.24 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(9H-fluoren-3-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 8893776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).