8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole

C12H11BrClN — CID 155399075

IUPAC8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole
SMILESClc1ccc(Br)c2[nH]c3c(c12)CCCC3
InChIInChI=1S/C12H11BrClN/c13-8-5-6-9(14)11-7-3-1-2-4-10(7)15-12(8)11/h5-6,15H,1-4H2
InChIKeyRMVCUWPIKJYQMQ-UHFFFAOYSA-N
MW284.58 g/mol
LogP4.46
Rot. Bonds

About 8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole

8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 155399075) has the molecular formula C12H11BrClN and a molecular weight of 284.58 g/mol. Its IUPAC name is 8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID155399075
Molecular FormulaC12H11BrClN
Molecular Weight284.58 g/mol
Exact Mass282.98
IUPAC Name8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole
SMILESClc1ccc(Br)c2[nH]c3c(c12)CCCC3
InChIInChI=1S/C12H11BrClN/c13-8-5-6-9(14)11-7-3-1-2-4-10(7)15-12(8)11/h5-6,15H,1-4H2
InChIKeyRMVCUWPIKJYQMQ-UHFFFAOYSA-N
XLogP4.46
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.58
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole (CID 155399075) is 8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole is Clc1ccc(Br)c2[nH]c3c(c12)CCCC3.
What is the InChIKey of 8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is RMVCUWPIKJYQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN/c13-8-5-6-9(14)11-7-3-1-2-4-10(7)15-12(8)11/h5-6,15H,1-4H2.
What are the key properties of 8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole?
8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 284.58 g/mol, XLogP of 4.46, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 155399075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).