8-bromo-1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one

C9H9BrFNO — CID 122633669

IUPAC8-bromo-1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one
SMILESCc1cc(Br)c2n(c1=O)CCC2F
InChIInChI=1S/C9H9BrFNO/c1-5-4-6(10)8-7(11)2-3-12(8)9(5)13/h4,7H,2-3H2,1H3
InChIKeyQDGPQTQWRKPKDL-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.33
Rot. Bonds

About 8-bromo-1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one

8-bromo-1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 122633669) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 8-bromo-1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name8-bromo-1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one
PubChem CID122633669
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name8-bromo-1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one
SMILESCc1cc(Br)c2n(c1=O)CCC2F
InChIInChI=1S/C9H9BrFNO/c1-5-4-6(10)8-7(11)2-3-12(8)9(5)13/h4,7H,2-3H2,1H3
InChIKeyQDGPQTQWRKPKDL-UHFFFAOYSA-N
XLogP2.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 8-bromo-1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one (CID 122633669) is 8-bromo-1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 8-bromo-1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 8-bromo-1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one is Cc1cc(Br)c2n(c1=O)CCC2F.
What is the InChIKey of 8-bromo-1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is QDGPQTQWRKPKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-5-4-6(10)8-7(11)2-3-12(8)9(5)13/h4,7H,2-3H2,1H3.
What are the key properties of 8-bromo-1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one?
8-bromo-1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 246.08 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-fluoro-6-methyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 122633669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).