3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole

C15H11Br2NO — CID 2775473

IUPAC3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2CC1CO1
InChIInChI=1S/C15H11Br2NO/c16-9-1-3-14-12(5-9)13-6-10(17)2-4-15(13)18(14)7-11-8-19-11/h1-6,11H,7-8H2
InChIKeyDGMRGIDWASSLGY-UHFFFAOYSA-N
MW381.07 g/mol
LogP4.72
Rot. Bonds2

About 3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole

3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole (PubChem CID 2775473) has the molecular formula C15H11Br2NO and a molecular weight of 381.07 g/mol. Its IUPAC name is 3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole
PubChem CID2775473
Molecular FormulaC15H11Br2NO
Molecular Weight381.07 g/mol
Exact Mass378.92
IUPAC Name3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2CC1CO1
InChIInChI=1S/C15H11Br2NO/c16-9-1-3-14-12(5-9)13-6-10(17)2-4-15(13)18(14)7-11-8-19-11/h1-6,11H,7-8H2
InChIKeyDGMRGIDWASSLGY-UHFFFAOYSA-N
XLogP4.72
TPSA17.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.07
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole?
The IUPAC name of 3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole (CID 2775473) is 3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole.
What is the SMILES notation for 3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole?
The canonical SMILES for 3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole is Brc1ccc2c(c1)c1cc(Br)ccc1n2CC1CO1.
What is the InChIKey of 3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole?
The InChIKey is DGMRGIDWASSLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO/c16-9-1-3-14-12(5-9)13-6-10(17)2-4-15(13)18(14)7-11-8-19-11/h1-6,11H,7-8H2.
What are the key properties of 3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole?
3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole has a molecular weight of 381.07 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-(oxiran-2-ylmethyl)carbazole is sourced from PubChem (CID 2775473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).