4-chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine

C13H9ClN2OS — CID 142487509

IUPAC4-chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine
SMILESCOc1ccccc1-c1nnc(Cl)c2cscc12
InChIInChI=1S/C13H9ClN2OS/c1-17-11-5-3-2-4-8(11)12-9-6-18-7-10(9)13(14)16-15-12/h2-7H,1H3
InChIKeyYNDRUFZCWDZOQX-UHFFFAOYSA-N
MW276.75 g/mol
LogP4.02
Rot. Bonds2

About 4-chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine

4-chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine (PubChem CID 142487509) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 4-chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine.

Molecular Properties

Compound Name4-chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine
PubChem CID142487509
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name4-chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine
SMILESCOc1ccccc1-c1nnc(Cl)c2cscc12
InChIInChI=1S/C13H9ClN2OS/c1-17-11-5-3-2-4-8(11)12-9-6-18-7-10(9)13(14)16-15-12/h2-7H,1H3
InChIKeyYNDRUFZCWDZOQX-UHFFFAOYSA-N
XLogP4.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine?
The IUPAC name of 4-chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine (CID 142487509) is 4-chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine.
What is the SMILES notation for 4-chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine?
The canonical SMILES for 4-chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine is COc1ccccc1-c1nnc(Cl)c2cscc12.
What is the InChIKey of 4-chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine?
The InChIKey is YNDRUFZCWDZOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-17-11-5-3-2-4-8(11)12-9-6-18-7-10(9)13(14)16-15-12/h2-7H,1H3.
What are the key properties of 4-chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine?
4-chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine has a molecular weight of 276.75 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine is sourced from PubChem (CID 142487509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).