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

C12H6ClFN2OS — CID 142487398

IUPAC2-(7-chlorothieno[2,3-d]pyridazin-4-yl)-5-fluorophenol
SMILESOc1cc(F)ccc1-c1nnc(Cl)c2sccc12
InChIInChI=1S/C12H6ClFN2OS/c13-12-11-8(3-4-18-11)10(15-16-12)7-2-1-6(14)5-9(7)17/h1-5,17H
InChIKeyHCEZWWFNVHPKNU-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.86
Rot. Bonds1

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

2-(7-chlorothieno[2,3-d]pyridazin-4-yl)-5-fluorophenol (PubChem CID 142487398) has the molecular formula C12H6ClFN2OS and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-(7-chlorothieno[2,3-d]pyridazin-4-yl)-5-fluorophenol.

Molecular Properties

Compound Name2-(7-chlorothieno[2,3-d]pyridazin-4-yl)-5-fluorophenol
PubChem CID142487398
Molecular FormulaC12H6ClFN2OS
Molecular Weight280.71 g/mol
Exact Mass279.99
IUPAC Name2-(7-chlorothieno[2,3-d]pyridazin-4-yl)-5-fluorophenol
SMILESOc1cc(F)ccc1-c1nnc(Cl)c2sccc12
InChIInChI=1S/C12H6ClFN2OS/c13-12-11-8(3-4-18-11)10(15-16-12)7-2-1-6(14)5-9(7)17/h1-5,17H
InChIKeyHCEZWWFNVHPKNU-UHFFFAOYSA-N
XLogP3.86
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Chloro-4-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine
CID 142487465
7-Chloro-4-[4-fluoro-2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine
CID 142487485
4-Chloro-7-[4-fluoro-2-(oxan-4-ylmethoxy)phenyl]thieno[2,3-d]pyridazine
CID 176205053
2-(4-Chloro-3-fluorothieno[2,3-d]pyridazin-7-yl)-5-fluorophenol
CID 176205104
2-(4-Chlorothieno[2,3-d]pyridazin-7-yl)-5-fluorophenol
CID 176205146
4-Chloro-7-(4-fluoro-2-phenylmethoxyphenyl)thieno[2,3-d]pyridazine
CID 176205154
4-Chloro-3-fluoro-7-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine
CID 176205171
4-Chloro-7-(4-fluoro-2-methoxyphenyl)thieno[2,3-d]pyridazine
CID 176205353
2-{4-Chlorothieno[2,3-d]pyridazin-7-yl}phenol
CID 142487413
5-Chloro-2-(7-chlorothieno[2,3-d]pyridazin-4-yl)phenol
CID 142487423
4-Chloro-7-(2-(2-methoxyethoxy)phenyl)thieno[2,3-d]pyridazine
CID 142487449
4-Chloro-1-(2-methoxyphenyl)thieno[3,4-d]pyridazine
CID 142487509

Frequently Asked Questions

What is the IUPAC name of 2-(7-chlorothieno[2,3-d]pyridazin-4-yl)-5-fluorophenol?
The IUPAC name of 2-(7-chlorothieno[2,3-d]pyridazin-4-yl)-5-fluorophenol (CID 142487398) is 2-(7-chlorothieno[2,3-d]pyridazin-4-yl)-5-fluorophenol.
What is the SMILES notation for 2-(7-chlorothieno[2,3-d]pyridazin-4-yl)-5-fluorophenol?
The canonical SMILES for 2-(7-chlorothieno[2,3-d]pyridazin-4-yl)-5-fluorophenol is Oc1cc(F)ccc1-c1nnc(Cl)c2sccc12.
What is the InChIKey of 2-(7-chlorothieno[2,3-d]pyridazin-4-yl)-5-fluorophenol?
The InChIKey is HCEZWWFNVHPKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN2OS/c13-12-11-8(3-4-18-11)10(15-16-12)7-2-1-6(14)5-9(7)17/h1-5,17H.
What are the key properties of 2-(7-chlorothieno[2,3-d]pyridazin-4-yl)-5-fluorophenol?
2-(7-chlorothieno[2,3-d]pyridazin-4-yl)-5-fluorophenol has a molecular weight of 280.71 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chlorothieno[2,3-d]pyridazin-4-yl)-5-fluorophenol is sourced from PubChem (CID 142487398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).