7-chloro-1H-carbazole

C12H8ClN — CID 154020916

IUPAC7-chloro-1H-carbazole
SMILESClc1ccc2c(c1)N=C1CC=CC=C12
InChIInChI=1S/C12H8ClN/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-3,5-7H,4H2
InChIKeyNMTUNVFLBMBMTK-UHFFFAOYSA-N
MW201.66 g/mol
LogP3.77
Rot. Bonds

About 7-chloro-1H-carbazole

7-chloro-1H-carbazole (PubChem CID 154020916) has the molecular formula C12H8ClN and a molecular weight of 201.66 g/mol. Its IUPAC name is 7-chloro-1H-carbazole.

Molecular Properties

Compound Name7-chloro-1H-carbazole
PubChem CID154020916
Molecular FormulaC12H8ClN
Molecular Weight201.66 g/mol
Exact Mass201.03
IUPAC Name7-chloro-1H-carbazole
SMILESClc1ccc2c(c1)N=C1CC=CC=C12
InChIInChI=1S/C12H8ClN/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-3,5-7H,4H2
InChIKeyNMTUNVFLBMBMTK-UHFFFAOYSA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1H-carbazole?
The IUPAC name of 7-chloro-1H-carbazole (CID 154020916) is 7-chloro-1H-carbazole.
What is the SMILES notation for 7-chloro-1H-carbazole?
The canonical SMILES for 7-chloro-1H-carbazole is Clc1ccc2c(c1)N=C1CC=CC=C12.
What is the InChIKey of 7-chloro-1H-carbazole?
The InChIKey is NMTUNVFLBMBMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-3,5-7H,4H2.
What are the key properties of 7-chloro-1H-carbazole?
7-chloro-1H-carbazole has a molecular weight of 201.66 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1H-carbazole is sourced from PubChem (CID 154020916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).