2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol

C15H11BrFNOS — CID 81144033

IUPAC2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol
SMILESOC(Cc1cc(Br)ccc1F)c1cnc2ccsc2c1
InChIInChI=1S/C15H11BrFNOS/c16-11-1-2-12(17)9(5-11)6-14(19)10-7-15-13(18-8-10)3-4-20-15/h1-5,7-8,14,19H,6H2
InChIKeyWNILACXMGPHMGI-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.47
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol

2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol (PubChem CID 81144033) has the molecular formula C15H11BrFNOS and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol
PubChem CID81144033
Molecular FormulaC15H11BrFNOS
Molecular Weight352.23 g/mol
Exact Mass350.97
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol
SMILESOC(Cc1cc(Br)ccc1F)c1cnc2ccsc2c1
InChIInChI=1S/C15H11BrFNOS/c16-11-1-2-12(17)9(5-11)6-14(19)10-7-15-13(18-8-10)3-4-20-15/h1-5,7-8,14,19H,6H2
InChIKeyWNILACXMGPHMGI-UHFFFAOYSA-N
XLogP4.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol
CID 81144222
2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81152886
2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 103048987
2-(2,5-difluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143289
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105086522
2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]pyridin-6-ylethanol
CID 81143765
1-thieno[3,2-b]pyridin-6-yl-2-thiophen-3-ylethanol
CID 81144126
1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol
CID 81144232
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol
CID 81143648
1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 106695425
2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721551
(3,5-difluorophenyl)-thieno[3,2-b]pyridin-6-ylmethanol
CID 81144116

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol (CID 81144033) is 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol is OC(Cc1cc(Br)ccc1F)c1cnc2ccsc2c1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol?
The InChIKey is WNILACXMGPHMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNOS/c16-11-1-2-12(17)9(5-11)6-14(19)10-7-15-13(18-8-10)3-4-20-15/h1-5,7-8,14,19H,6H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol?
2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol has a molecular weight of 352.23 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol is sourced from PubChem (CID 81144033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).