4-bromo-9H-carbazole

C12H8BrN — CID 58338270

IUPAC4-bromo-9H-carbazole
SMILESBrc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C12H8BrN/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7,14H
InChIKeyCBJHFGQCHKNNJY-UHFFFAOYSA-N
MW246.11 g/mol
LogP4.08
Rot. Bonds

About 4-bromo-9H-carbazole

4-bromo-9H-carbazole (PubChem CID 58338270) has the molecular formula C12H8BrN and a molecular weight of 246.11 g/mol. Its IUPAC name is 4-bromo-9H-carbazole.

Molecular Properties

Compound Name4-bromo-9H-carbazole
PubChem CID58338270
Molecular FormulaC12H8BrN
Molecular Weight246.11 g/mol
Exact Mass244.98
IUPAC Name4-bromo-9H-carbazole
SMILESBrc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C12H8BrN/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7,14H
InChIKeyCBJHFGQCHKNNJY-UHFFFAOYSA-N
XLogP4.08
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-9H-carbazole?
The IUPAC name of 4-bromo-9H-carbazole (CID 58338270) is 4-bromo-9H-carbazole.
What is the SMILES notation for 4-bromo-9H-carbazole?
The canonical SMILES for 4-bromo-9H-carbazole is Brc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 4-bromo-9H-carbazole?
The InChIKey is CBJHFGQCHKNNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7,14H.
What are the key properties of 4-bromo-9H-carbazole?
4-bromo-9H-carbazole has a molecular weight of 246.11 g/mol, XLogP of 4.08, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-9H-carbazole is sourced from PubChem (CID 58338270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).