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

C14H9Cl2N — CID 172647420

IUPAC4-(2,3-dichlorophenyl)-1H-indole
SMILESClc1cccc(-c2cccc3[nH]ccc23)c1Cl
InChIInChI=1S/C14H9Cl2N/c15-12-5-1-4-11(14(12)16)9-3-2-6-13-10(9)7-8-17-13/h1-8,17H
InChIKeyZCBXQRKHIHHGBS-UHFFFAOYSA-N
MW262.14 g/mol
LogP5.14
Rot. Bonds1

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

4-(2,3-dichlorophenyl)-1H-indole (PubChem CID 172647420) has the molecular formula C14H9Cl2N and a molecular weight of 262.14 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-1H-indole.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-1H-indole
PubChem CID172647420
Molecular FormulaC14H9Cl2N
Molecular Weight262.14 g/mol
Exact Mass261.01
IUPAC Name4-(2,3-dichlorophenyl)-1H-indole
SMILESClc1cccc(-c2cccc3[nH]ccc23)c1Cl
InChIInChI=1S/C14H9Cl2N/c15-12-5-1-4-11(14(12)16)9-3-2-6-13-10(9)7-8-17-13/h1-8,17H
InChIKeyZCBXQRKHIHHGBS-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 4-(2,3-dichlorophenyl)-1H-indole?
The IUPAC name of 4-(2,3-dichlorophenyl)-1H-indole (CID 172647420) is 4-(2,3-dichlorophenyl)-1H-indole.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-1H-indole?
The canonical SMILES for 4-(2,3-dichlorophenyl)-1H-indole is Clc1cccc(-c2cccc3[nH]ccc23)c1Cl.
What is the InChIKey of 4-(2,3-dichlorophenyl)-1H-indole?
The InChIKey is ZCBXQRKHIHHGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N/c15-12-5-1-4-11(14(12)16)9-3-2-6-13-10(9)7-8-17-13/h1-8,17H.
What are the key properties of 4-(2,3-dichlorophenyl)-1H-indole?
4-(2,3-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 4-(2,3-dichlorophenyl)-1H-indole is sourced from PubChem (CID 172647420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).