5-bromo-3-(9H-fluoren-3-ylamino)pyran-2-one

C18H12BrNO2 — CID 86222189

IUPAC5-bromo-3-(9H-fluoren-3-ylamino)pyran-2-one
SMILESO=c1occ(Br)cc1Nc1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C18H12BrNO2/c19-13-8-17(18(21)22-10-13)20-14-6-5-12-7-11-3-1-2-4-15(11)16(12)9-14/h1-6,8-10,20H,7H2
InChIKeyKZPBWMCBRSDHFK-UHFFFAOYSA-N
MW354.20 g/mol
LogP4.72
Rot. Bonds2

About 5-bromo-3-(9H-fluoren-3-ylamino)pyran-2-one

5-bromo-3-(9H-fluoren-3-ylamino)pyran-2-one (PubChem CID 86222189) has the molecular formula C18H12BrNO2 and a molecular weight of 354.20 g/mol. Its IUPAC name is 5-bromo-3-(9H-fluoren-3-ylamino)pyran-2-one.

Molecular Properties

Compound Name5-bromo-3-(9H-fluoren-3-ylamino)pyran-2-one
PubChem CID86222189
Molecular FormulaC18H12BrNO2
Molecular Weight354.20 g/mol
Exact Mass353.01
IUPAC Name5-bromo-3-(9H-fluoren-3-ylamino)pyran-2-one
SMILESO=c1occ(Br)cc1Nc1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C18H12BrNO2/c19-13-8-17(18(21)22-10-13)20-14-6-5-12-7-11-3-1-2-4-15(11)16(12)9-14/h1-6,8-10,20H,7H2
InChIKeyKZPBWMCBRSDHFK-UHFFFAOYSA-N
XLogP4.72
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(9H-fluoren-3-ylamino)pyran-2-one?
The IUPAC name of 5-bromo-3-(9H-fluoren-3-ylamino)pyran-2-one (CID 86222189) is 5-bromo-3-(9H-fluoren-3-ylamino)pyran-2-one.
What is the SMILES notation for 5-bromo-3-(9H-fluoren-3-ylamino)pyran-2-one?
The canonical SMILES for 5-bromo-3-(9H-fluoren-3-ylamino)pyran-2-one is O=c1occ(Br)cc1Nc1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of 5-bromo-3-(9H-fluoren-3-ylamino)pyran-2-one?
The InChIKey is KZPBWMCBRSDHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrNO2/c19-13-8-17(18(21)22-10-13)20-14-6-5-12-7-11-3-1-2-4-15(11)16(12)9-14/h1-6,8-10,20H,7H2.
What are the key properties of 5-bromo-3-(9H-fluoren-3-ylamino)pyran-2-one?
5-bromo-3-(9H-fluoren-3-ylamino)pyran-2-one has a molecular weight of 354.20 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(9H-fluoren-3-ylamino)pyran-2-one is sourced from PubChem (CID 86222189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).