2-(3,4-dichlorophenyl)-1H-indole

C14H9Cl2N — CID 36687999

IUPAC2-(3,4-dichlorophenyl)-1H-indole
SMILESClc1ccc(-c2cc3ccccc3[nH]2)cc1Cl
InChIInChI=1S/C14H9Cl2N/c15-11-6-5-10(7-12(11)16)14-8-9-3-1-2-4-13(9)17-14/h1-8,17H
InChIKeyHHGHNLONRKBRTI-UHFFFAOYSA-N
MW262.14 g/mol
LogP5.14
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-1H-indole

2-(3,4-dichlorophenyl)-1H-indole (PubChem CID 36687999) has the molecular formula C14H9Cl2N and a molecular weight of 262.14 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1H-indole.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1H-indole
PubChem CID36687999
Molecular FormulaC14H9Cl2N
Molecular Weight262.14 g/mol
Exact Mass261.01
IUPAC Name2-(3,4-dichlorophenyl)-1H-indole
SMILESClc1ccc(-c2cc3ccccc3[nH]2)cc1Cl
InChIInChI=1S/C14H9Cl2N/c15-11-6-5-10(7-12(11)16)14-8-9-3-1-2-4-13(9)17-14/h1-8,17H
InChIKeyHHGHNLONRKBRTI-UHFFFAOYSA-N
XLogP5.14
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.14
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1H-indole?
The IUPAC name of 2-(3,4-dichlorophenyl)-1H-indole (CID 36687999) is 2-(3,4-dichlorophenyl)-1H-indole.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1H-indole?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1H-indole is Clc1ccc(-c2cc3ccccc3[nH]2)cc1Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1H-indole?
The InChIKey is HHGHNLONRKBRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N/c15-11-6-5-10(7-12(11)16)14-8-9-3-1-2-4-13(9)17-14/h1-8,17H.
What are the key properties of 2-(3,4-dichlorophenyl)-1H-indole?
2-(3,4-dichlorophenyl)-1H-indole has a molecular weight of 262.14 g/mol, XLogP of 5.14, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1H-indole is sourced from PubChem (CID 36687999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).