3-chloro-9H-carbazole

C12H8ClN — CID 520302

IUPAC3-chloro-9H-carbazole
SMILESClc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C12H8ClN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H
InChIKeyCABSFELLEWZIAK-UHFFFAOYSA-N
MW201.66 g/mol
LogP3.97
Rot. Bonds

About 3-chloro-9H-carbazole

3-chloro-9H-carbazole (PubChem CID 520302) has the molecular formula C12H8ClN and a molecular weight of 201.66 g/mol. Its IUPAC name is 3-chloro-9H-carbazole.

Molecular Properties

Compound Name3-chloro-9H-carbazole
PubChem CID520302
Molecular FormulaC12H8ClN
Molecular Weight201.66 g/mol
Exact Mass201.03
IUPAC Name3-chloro-9H-carbazole
SMILESClc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C12H8ClN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H
InChIKeyCABSFELLEWZIAK-UHFFFAOYSA-N
XLogP3.97
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-9H-carbazole?
The IUPAC name of 3-chloro-9H-carbazole (CID 520302) is 3-chloro-9H-carbazole.
What is the SMILES notation for 3-chloro-9H-carbazole?
The canonical SMILES for 3-chloro-9H-carbazole is Clc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 3-chloro-9H-carbazole?
The InChIKey is CABSFELLEWZIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H.
What are the key properties of 3-chloro-9H-carbazole?
3-chloro-9H-carbazole has a molecular weight of 201.66 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-9H-carbazole is sourced from PubChem (CID 520302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).