3-(1-benzothiophen-7-yl)-6-chloropyridazine

C12H7ClN2S — CID 81148471

IUPAC3-(1-benzothiophen-7-yl)-6-chloropyridazine
SMILESClc1ccc(-c2cccc3ccsc23)nn1
InChIInChI=1S/C12H7ClN2S/c13-11-5-4-10(14-15-11)9-3-1-2-8-6-7-16-12(8)9/h1-7H
InChIKeyQVNWBAKYMLIOCH-UHFFFAOYSA-N
MW246.72 g/mol
LogP4.01
Rot. Bonds1

About 3-(1-benzothiophen-7-yl)-6-chloropyridazine

3-(1-benzothiophen-7-yl)-6-chloropyridazine (PubChem CID 81148471) has the molecular formula C12H7ClN2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 3-(1-benzothiophen-7-yl)-6-chloropyridazine.

Molecular Properties

Compound Name3-(1-benzothiophen-7-yl)-6-chloropyridazine
PubChem CID81148471
Molecular FormulaC12H7ClN2S
Molecular Weight246.72 g/mol
Exact Mass246.00
IUPAC Name3-(1-benzothiophen-7-yl)-6-chloropyridazine
SMILESClc1ccc(-c2cccc3ccsc23)nn1
InChIInChI=1S/C12H7ClN2S/c13-11-5-4-10(14-15-11)9-3-1-2-8-6-7-16-12(8)9/h1-7H
InChIKeyQVNWBAKYMLIOCH-UHFFFAOYSA-N
XLogP4.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-7-yl)-6-chloropyridazine?
The IUPAC name of 3-(1-benzothiophen-7-yl)-6-chloropyridazine (CID 81148471) is 3-(1-benzothiophen-7-yl)-6-chloropyridazine.
What is the SMILES notation for 3-(1-benzothiophen-7-yl)-6-chloropyridazine?
The canonical SMILES for 3-(1-benzothiophen-7-yl)-6-chloropyridazine is Clc1ccc(-c2cccc3ccsc23)nn1.
What is the InChIKey of 3-(1-benzothiophen-7-yl)-6-chloropyridazine?
The InChIKey is QVNWBAKYMLIOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2S/c13-11-5-4-10(14-15-11)9-3-1-2-8-6-7-16-12(8)9/h1-7H.
What are the key properties of 3-(1-benzothiophen-7-yl)-6-chloropyridazine?
3-(1-benzothiophen-7-yl)-6-chloropyridazine has a molecular weight of 246.72 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-7-yl)-6-chloropyridazine is sourced from PubChem (CID 81148471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).