2-(5-chloro-1H-indol-6-yl)aniline

C14H11ClN2 — CID 69331561

IUPAC2-(5-chloro-1H-indol-6-yl)aniline
SMILESNc1ccccc1-c1cc2[nH]ccc2cc1Cl
InChIInChI=1S/C14H11ClN2/c15-12-7-9-5-6-17-14(9)8-11(12)10-3-1-2-4-13(10)16/h1-8,17H,16H2
InChIKeySVXCOBCUDBAOCU-UHFFFAOYSA-N
MW242.71 g/mol
LogP4.07
Rot. Bonds1

About 2-(5-chloro-1H-indol-6-yl)aniline

2-(5-chloro-1H-indol-6-yl)aniline (PubChem CID 69331561) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-6-yl)aniline.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-6-yl)aniline
PubChem CID69331561
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-(5-chloro-1H-indol-6-yl)aniline
SMILESNc1ccccc1-c1cc2[nH]ccc2cc1Cl
InChIInChI=1S/C14H11ClN2/c15-12-7-9-5-6-17-14(9)8-11(12)10-3-1-2-4-13(10)16/h1-8,17H,16H2
InChIKeySVXCOBCUDBAOCU-UHFFFAOYSA-N
XLogP4.07
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-6-yl)aniline?
The IUPAC name of 2-(5-chloro-1H-indol-6-yl)aniline (CID 69331561) is 2-(5-chloro-1H-indol-6-yl)aniline.
What is the SMILES notation for 2-(5-chloro-1H-indol-6-yl)aniline?
The canonical SMILES for 2-(5-chloro-1H-indol-6-yl)aniline is Nc1ccccc1-c1cc2[nH]ccc2cc1Cl.
What is the InChIKey of 2-(5-chloro-1H-indol-6-yl)aniline?
The InChIKey is SVXCOBCUDBAOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-12-7-9-5-6-17-14(9)8-11(12)10-3-1-2-4-13(10)16/h1-8,17H,16H2.
What are the key properties of 2-(5-chloro-1H-indol-6-yl)aniline?
2-(5-chloro-1H-indol-6-yl)aniline has a molecular weight of 242.71 g/mol, XLogP of 4.07, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-6-yl)aniline is sourced from PubChem (CID 69331561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).