2-bromo-9H-carbazole

C12H8BrN — CID 12717089

IUPAC2-bromo-9H-carbazole
SMILESBrc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H8BrN/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,14H
InChIKeyPJRGCJBBXGNEGD-UHFFFAOYSA-N
MW246.11 g/mol
LogP4.08
Rot. Bonds

About 2-bromo-9H-carbazole

2-bromo-9H-carbazole (PubChem CID 12717089) has the molecular formula C12H8BrN and a molecular weight of 246.11 g/mol. Its IUPAC name is 2-bromo-9H-carbazole.

Molecular Properties

Compound Name2-bromo-9H-carbazole
PubChem CID12717089
Molecular FormulaC12H8BrN
Molecular Weight246.11 g/mol
Exact Mass244.98
IUPAC Name2-bromo-9H-carbazole
SMILESBrc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H8BrN/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,14H
InChIKeyPJRGCJBBXGNEGD-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 2-bromo-9H-carbazole?
The IUPAC name of 2-bromo-9H-carbazole (CID 12717089) is 2-bromo-9H-carbazole.
What is the SMILES notation for 2-bromo-9H-carbazole?
The canonical SMILES for 2-bromo-9H-carbazole is Brc1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 2-bromo-9H-carbazole?
The InChIKey is PJRGCJBBXGNEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,14H.
What are the key properties of 2-bromo-9H-carbazole?
2-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 2-bromo-9H-carbazole is sourced from PubChem (CID 12717089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).