2-(4-chlorothieno[2,3-d]pyridazin-7-yl)phenol

C12H7ClN2OS — CID 142487413

IUPAC2-(4-chlorothieno[2,3-d]pyridazin-7-yl)phenol
SMILESOc1ccccc1-c1nnc(Cl)c2ccsc12
InChIInChI=1S/C12H7ClN2OS/c13-12-8-5-6-17-11(8)10(14-15-12)7-3-1-2-4-9(7)16/h1-6,16H
InChIKeyIAVKNLNYHXWLST-UHFFFAOYSA-N
MW262.72 g/mol
LogP3.72
Rot. Bonds1

About 2-(4-chlorothieno[2,3-d]pyridazin-7-yl)phenol

2-(4-chlorothieno[2,3-d]pyridazin-7-yl)phenol (PubChem CID 142487413) has the molecular formula C12H7ClN2OS and a molecular weight of 262.72 g/mol. Its IUPAC name is 2-(4-chlorothieno[2,3-d]pyridazin-7-yl)phenol.

Molecular Properties

Compound Name2-(4-chlorothieno[2,3-d]pyridazin-7-yl)phenol
PubChem CID142487413
Molecular FormulaC12H7ClN2OS
Molecular Weight262.72 g/mol
Exact Mass262.00
IUPAC Name2-(4-chlorothieno[2,3-d]pyridazin-7-yl)phenol
SMILESOc1ccccc1-c1nnc(Cl)c2ccsc12
InChIInChI=1S/C12H7ClN2OS/c13-12-8-5-6-17-11(8)10(14-15-12)7-3-1-2-4-9(7)16/h1-6,16H
InChIKeyIAVKNLNYHXWLST-UHFFFAOYSA-N
XLogP3.72
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorothieno[2,3-d]pyridazin-7-yl)phenol?
The IUPAC name of 2-(4-chlorothieno[2,3-d]pyridazin-7-yl)phenol (CID 142487413) is 2-(4-chlorothieno[2,3-d]pyridazin-7-yl)phenol.
What is the SMILES notation for 2-(4-chlorothieno[2,3-d]pyridazin-7-yl)phenol?
The canonical SMILES for 2-(4-chlorothieno[2,3-d]pyridazin-7-yl)phenol is Oc1ccccc1-c1nnc(Cl)c2ccsc12.
What is the InChIKey of 2-(4-chlorothieno[2,3-d]pyridazin-7-yl)phenol?
The InChIKey is IAVKNLNYHXWLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2OS/c13-12-8-5-6-17-11(8)10(14-15-12)7-3-1-2-4-9(7)16/h1-6,16H.
What are the key properties of 2-(4-chlorothieno[2,3-d]pyridazin-7-yl)phenol?
2-(4-chlorothieno[2,3-d]pyridazin-7-yl)phenol has a molecular weight of 262.72 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorothieno[2,3-d]pyridazin-7-yl)phenol is sourced from PubChem (CID 142487413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).