[1-bromo-2-(4-fluorophenyl)indolizin-3-yl]-(3-bromo-4-hydroxyphenyl)methanone

C21H12Br2FNO2 — CID 3060201

IUPAC[1-bromo-2-(4-fluorophenyl)indolizin-3-yl]-(3-bromo-4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)c(Br)c1)c1c(-c2ccc(F)cc2)c(Br)c2ccccn12
InChIInChI=1S/C21H12Br2FNO2/c22-15-11-13(6-9-17(15)26)21(27)20-18(12-4-7-14(24)8-5-12)19(23)16-3-1-2-10-25(16)20/h1-11,26H
InChIKeyOAOSWNJSSPIKDR-UHFFFAOYSA-N
MW489.14 g/mol
LogP6.21
Rot. Bonds3

About [1-bromo-2-(4-fluorophenyl)indolizin-3-yl]-(3-bromo-4-hydroxyphenyl)methanone

[1-bromo-2-(4-fluorophenyl)indolizin-3-yl]-(3-bromo-4-hydroxyphenyl)methanone (PubChem CID 3060201) has the molecular formula C21H12Br2FNO2 and a molecular weight of 489.14 g/mol. Its IUPAC name is [1-bromo-2-(4-fluorophenyl)indolizin-3-yl]-(3-bromo-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[1-bromo-2-(4-fluorophenyl)indolizin-3-yl]-(3-bromo-4-hydroxyphenyl)methanone
PubChem CID3060201
Molecular FormulaC21H12Br2FNO2
Molecular Weight489.14 g/mol
Exact Mass486.92
IUPAC Name[1-bromo-2-(4-fluorophenyl)indolizin-3-yl]-(3-bromo-4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)c(Br)c1)c1c(-c2ccc(F)cc2)c(Br)c2ccccn12
InChIInChI=1S/C21H12Br2FNO2/c22-15-11-13(6-9-17(15)26)21(27)20-18(12-4-7-14(24)8-5-12)19(23)16-3-1-2-10-25(16)20/h1-11,26H
InChIKeyOAOSWNJSSPIKDR-UHFFFAOYSA-N
XLogP6.21
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.14
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-bromo-2-(4-fluorophenyl)indolizin-3-yl]-(3-bromo-4-hydroxyphenyl)methanone?
The IUPAC name of [1-bromo-2-(4-fluorophenyl)indolizin-3-yl]-(3-bromo-4-hydroxyphenyl)methanone (CID 3060201) is [1-bromo-2-(4-fluorophenyl)indolizin-3-yl]-(3-bromo-4-hydroxyphenyl)methanone.
What is the SMILES notation for [1-bromo-2-(4-fluorophenyl)indolizin-3-yl]-(3-bromo-4-hydroxyphenyl)methanone?
The canonical SMILES for [1-bromo-2-(4-fluorophenyl)indolizin-3-yl]-(3-bromo-4-hydroxyphenyl)methanone is O=C(c1ccc(O)c(Br)c1)c1c(-c2ccc(F)cc2)c(Br)c2ccccn12.
What is the InChIKey of [1-bromo-2-(4-fluorophenyl)indolizin-3-yl]-(3-bromo-4-hydroxyphenyl)methanone?
The InChIKey is OAOSWNJSSPIKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Br2FNO2/c22-15-11-13(6-9-17(15)26)21(27)20-18(12-4-7-14(24)8-5-12)19(23)16-3-1-2-10-25(16)20/h1-11,26H.
What are the key properties of [1-bromo-2-(4-fluorophenyl)indolizin-3-yl]-(3-bromo-4-hydroxyphenyl)methanone?
[1-bromo-2-(4-fluorophenyl)indolizin-3-yl]-(3-bromo-4-hydroxyphenyl)methanone has a molecular weight of 489.14 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-bromo-2-(4-fluorophenyl)indolizin-3-yl]-(3-bromo-4-hydroxyphenyl)methanone is sourced from PubChem (CID 3060201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).