3-(6-chloropyridazin-3-yl)-1H-indole

C12H8ClN3 — CID 2763611

IUPAC3-(6-chloropyridazin-3-yl)-1H-indole
SMILESClc1ccc(-c2c[nH]c3ccccc23)nn1
InChIInChI=1S/C12H8ClN3/c13-12-6-5-11(15-16-12)9-7-14-10-4-2-1-3-8(9)10/h1-7,14H
InChIKeyCLXGESVVZOJONY-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.28
Rot. Bonds1

About 3-(6-chloropyridazin-3-yl)-1H-indole

3-(6-chloropyridazin-3-yl)-1H-indole (PubChem CID 2763611) has the molecular formula C12H8ClN3 and a molecular weight of 229.67 g/mol. Its IUPAC name is 3-(6-chloropyridazin-3-yl)-1H-indole.

Molecular Properties

Compound Name3-(6-chloropyridazin-3-yl)-1H-indole
PubChem CID2763611
Molecular FormulaC12H8ClN3
Molecular Weight229.67 g/mol
Exact Mass229.04
IUPAC Name3-(6-chloropyridazin-3-yl)-1H-indole
SMILESClc1ccc(-c2c[nH]c3ccccc23)nn1
InChIInChI=1S/C12H8ClN3/c13-12-6-5-11(15-16-12)9-7-14-10-4-2-1-3-8(9)10/h1-7,14H
InChIKeyCLXGESVVZOJONY-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyridazin-3-yl)-1H-indole?
The IUPAC name of 3-(6-chloropyridazin-3-yl)-1H-indole (CID 2763611) is 3-(6-chloropyridazin-3-yl)-1H-indole.
What is the SMILES notation for 3-(6-chloropyridazin-3-yl)-1H-indole?
The canonical SMILES for 3-(6-chloropyridazin-3-yl)-1H-indole is Clc1ccc(-c2c[nH]c3ccccc23)nn1.
What is the InChIKey of 3-(6-chloropyridazin-3-yl)-1H-indole?
The InChIKey is CLXGESVVZOJONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3/c13-12-6-5-11(15-16-12)9-7-14-10-4-2-1-3-8(9)10/h1-7,14H.
What are the key properties of 3-(6-chloropyridazin-3-yl)-1H-indole?
3-(6-chloropyridazin-3-yl)-1H-indole has a molecular weight of 229.67 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyridazin-3-yl)-1H-indole is sourced from PubChem (CID 2763611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).