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

C13H8ClFN2OS — CID 142487465

IUPAC7-chloro-4-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine
SMILESCOc1cc(F)ccc1-c1nnc(Cl)c2sccc12
InChIInChI=1S/C13H8ClFN2OS/c1-18-10-6-7(15)2-3-8(10)11-9-4-5-19-12(9)13(14)17-16-11/h2-6H,1H3
InChIKeyYNFRRVABZABYAP-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.16
Rot. Bonds2

About 7-chloro-4-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine

7-chloro-4-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine (PubChem CID 142487465) has the molecular formula C13H8ClFN2OS and a molecular weight of 294.74 g/mol. Its IUPAC name is 7-chloro-4-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name7-chloro-4-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine
PubChem CID142487465
Molecular FormulaC13H8ClFN2OS
Molecular Weight294.74 g/mol
Exact Mass294.00
IUPAC Name7-chloro-4-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine
SMILESCOc1cc(F)ccc1-c1nnc(Cl)c2sccc12
InChIInChI=1S/C13H8ClFN2OS/c1-18-10-6-7(15)2-3-8(10)11-9-4-5-19-12(9)13(14)17-16-11/h2-6H,1H3
InChIKeyYNFRRVABZABYAP-UHFFFAOYSA-N
XLogP4.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine?
The IUPAC name of 7-chloro-4-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine (CID 142487465) is 7-chloro-4-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine.
What is the SMILES notation for 7-chloro-4-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine?
The canonical SMILES for 7-chloro-4-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine is COc1cc(F)ccc1-c1nnc(Cl)c2sccc12.
What is the InChIKey of 7-chloro-4-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine?
The InChIKey is YNFRRVABZABYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2OS/c1-18-10-6-7(15)2-3-8(10)11-9-4-5-19-12(9)13(14)17-16-11/h2-6H,1H3.
What are the key properties of 7-chloro-4-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine?
7-chloro-4-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine has a molecular weight of 294.74 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine is sourced from PubChem (CID 142487465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).