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

C12H6Cl2N2OS — CID 142487423

IUPAC5-chloro-2-(7-chlorothieno[2,3-d]pyridazin-4-yl)phenol
SMILESOc1cc(Cl)ccc1-c1nnc(Cl)c2sccc12
InChIInChI=1S/C12H6Cl2N2OS/c13-6-1-2-7(9(17)5-6)10-8-3-4-18-11(8)12(14)16-15-10/h1-5,17H
InChIKeyKQDPUKAGZNNSSC-UHFFFAOYSA-N
MW297.17 g/mol
LogP4.37
Rot. Bonds1

About 5-chloro-2-(7-chlorothieno[2,3-d]pyridazin-4-yl)phenol

5-chloro-2-(7-chlorothieno[2,3-d]pyridazin-4-yl)phenol (PubChem CID 142487423) has the molecular formula C12H6Cl2N2OS and a molecular weight of 297.17 g/mol. Its IUPAC name is 5-chloro-2-(7-chlorothieno[2,3-d]pyridazin-4-yl)phenol.

Molecular Properties

Compound Name5-chloro-2-(7-chlorothieno[2,3-d]pyridazin-4-yl)phenol
PubChem CID142487423
Molecular FormulaC12H6Cl2N2OS
Molecular Weight297.17 g/mol
Exact Mass295.96
IUPAC Name5-chloro-2-(7-chlorothieno[2,3-d]pyridazin-4-yl)phenol
SMILESOc1cc(Cl)ccc1-c1nnc(Cl)c2sccc12
InChIInChI=1S/C12H6Cl2N2OS/c13-6-1-2-7(9(17)5-6)10-8-3-4-18-11(8)12(14)16-15-10/h1-5,17H
InChIKeyKQDPUKAGZNNSSC-UHFFFAOYSA-N
XLogP4.37
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(7-chlorothieno[2,3-d]pyridazin-4-yl)phenol?
The IUPAC name of 5-chloro-2-(7-chlorothieno[2,3-d]pyridazin-4-yl)phenol (CID 142487423) is 5-chloro-2-(7-chlorothieno[2,3-d]pyridazin-4-yl)phenol.
What is the SMILES notation for 5-chloro-2-(7-chlorothieno[2,3-d]pyridazin-4-yl)phenol?
The canonical SMILES for 5-chloro-2-(7-chlorothieno[2,3-d]pyridazin-4-yl)phenol is Oc1cc(Cl)ccc1-c1nnc(Cl)c2sccc12.
What is the InChIKey of 5-chloro-2-(7-chlorothieno[2,3-d]pyridazin-4-yl)phenol?
The InChIKey is KQDPUKAGZNNSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2OS/c13-6-1-2-7(9(17)5-6)10-8-3-4-18-11(8)12(14)16-15-10/h1-5,17H.
What are the key properties of 5-chloro-2-(7-chlorothieno[2,3-d]pyridazin-4-yl)phenol?
5-chloro-2-(7-chlorothieno[2,3-d]pyridazin-4-yl)phenol has a molecular weight of 297.17 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(7-chlorothieno[2,3-d]pyridazin-4-yl)phenol is sourced from PubChem (CID 142487423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).