3-chloro-2-(1H-pyrrol-2-yl)-1H-indole

C12H9ClN2 — CID 141328580

IUPAC3-chloro-2-(1H-pyrrol-2-yl)-1H-indole
SMILESClc1c(-c2ccc[nH]2)[nH]c2ccccc12
InChIInChI=1S/C12H9ClN2/c13-11-8-4-1-2-5-9(8)15-12(11)10-6-3-7-14-10/h1-7,14-15H
InChIKeyFTFSUNKMLODAIQ-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.82
Rot. Bonds1

About 3-chloro-2-(1H-pyrrol-2-yl)-1H-indole

3-chloro-2-(1H-pyrrol-2-yl)-1H-indole (PubChem CID 141328580) has the molecular formula C12H9ClN2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 3-chloro-2-(1H-pyrrol-2-yl)-1H-indole.

Molecular Properties

Compound Name3-chloro-2-(1H-pyrrol-2-yl)-1H-indole
PubChem CID141328580
Molecular FormulaC12H9ClN2
Molecular Weight216.67 g/mol
Exact Mass216.05
IUPAC Name3-chloro-2-(1H-pyrrol-2-yl)-1H-indole
SMILESClc1c(-c2ccc[nH]2)[nH]c2ccccc12
InChIInChI=1S/C12H9ClN2/c13-11-8-4-1-2-5-9(8)15-12(11)10-6-3-7-14-10/h1-7,14-15H
InChIKeyFTFSUNKMLODAIQ-UHFFFAOYSA-N
XLogP3.82
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1H-pyrrol-2-yl)-1H-indole?
The IUPAC name of 3-chloro-2-(1H-pyrrol-2-yl)-1H-indole (CID 141328580) is 3-chloro-2-(1H-pyrrol-2-yl)-1H-indole.
What is the SMILES notation for 3-chloro-2-(1H-pyrrol-2-yl)-1H-indole?
The canonical SMILES for 3-chloro-2-(1H-pyrrol-2-yl)-1H-indole is Clc1c(-c2ccc[nH]2)[nH]c2ccccc12.
What is the InChIKey of 3-chloro-2-(1H-pyrrol-2-yl)-1H-indole?
The InChIKey is FTFSUNKMLODAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2/c13-11-8-4-1-2-5-9(8)15-12(11)10-6-3-7-14-10/h1-7,14-15H.
What are the key properties of 3-chloro-2-(1H-pyrrol-2-yl)-1H-indole?
3-chloro-2-(1H-pyrrol-2-yl)-1H-indole has a molecular weight of 216.67 g/mol, XLogP of 3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1H-pyrrol-2-yl)-1H-indole is sourced from PubChem (CID 141328580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).