(3,5-dibromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone

C17H13Br2NO2 — CID 3060197

IUPAC(3,5-dibromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone
SMILESCCc1cc2ccccn2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C17H13Br2NO2/c1-2-10-7-12-5-3-4-6-20(12)15(10)16(21)11-8-13(18)17(22)14(19)9-11/h3-9,22H,2H2,1H3
InChIKeyRUKYQIMPYDSWNF-UHFFFAOYSA-N
MW423.10 g/mol
LogP4.96
Rot. Bonds3

About (3,5-dibromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone

(3,5-dibromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone (PubChem CID 3060197) has the molecular formula C17H13Br2NO2 and a molecular weight of 423.10 g/mol. Its IUPAC name is (3,5-dibromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dibromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone
PubChem CID3060197
Molecular FormulaC17H13Br2NO2
Molecular Weight423.10 g/mol
Exact Mass420.93
IUPAC Name(3,5-dibromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone
SMILESCCc1cc2ccccn2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C17H13Br2NO2/c1-2-10-7-12-5-3-4-6-20(12)15(10)16(21)11-8-13(18)17(22)14(19)9-11/h3-9,22H,2H2,1H3
InChIKeyRUKYQIMPYDSWNF-UHFFFAOYSA-N
XLogP4.96
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.10
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone?
The IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone (CID 3060197) is (3,5-dibromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone.
What is the SMILES notation for (3,5-dibromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone?
The canonical SMILES for (3,5-dibromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone is CCc1cc2ccccn2c1C(=O)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of (3,5-dibromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone?
The InChIKey is RUKYQIMPYDSWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Br2NO2/c1-2-10-7-12-5-3-4-6-20(12)15(10)16(21)11-8-13(18)17(22)14(19)9-11/h3-9,22H,2H2,1H3.
What are the key properties of (3,5-dibromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone?
(3,5-dibromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone has a molecular weight of 423.10 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone is sourced from PubChem (CID 3060197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).