1-(2-bromo-6-chlorothieno[2,3-b]pyridin-5-yl)ethanol

C9H7BrClNOS — CID 77230811

IUPAC1-(2-bromo-6-chlorothieno[2,3-b]pyridin-5-yl)ethanol
SMILESCC(O)c1cc2cc(Br)sc2nc1Cl
InChIInChI=1S/C9H7BrClNOS/c1-4(13)6-2-5-3-7(10)14-9(5)12-8(6)11/h2-4,13H,1H3
InChIKeyLNENWYQVQQGXMZ-UHFFFAOYSA-N
MW292.59 g/mol
LogP3.77
Rot. Bonds1

About 1-(2-bromo-6-chlorothieno[2,3-b]pyridin-5-yl)ethanol

1-(2-bromo-6-chlorothieno[2,3-b]pyridin-5-yl)ethanol (PubChem CID 77230811) has the molecular formula C9H7BrClNOS and a molecular weight of 292.59 g/mol. Its IUPAC name is 1-(2-bromo-6-chlorothieno[2,3-b]pyridin-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-6-chlorothieno[2,3-b]pyridin-5-yl)ethanol
PubChem CID77230811
Molecular FormulaC9H7BrClNOS
Molecular Weight292.59 g/mol
Exact Mass290.91
IUPAC Name1-(2-bromo-6-chlorothieno[2,3-b]pyridin-5-yl)ethanol
SMILESCC(O)c1cc2cc(Br)sc2nc1Cl
InChIInChI=1S/C9H7BrClNOS/c1-4(13)6-2-5-3-7(10)14-9(5)12-8(6)11/h2-4,13H,1H3
InChIKeyLNENWYQVQQGXMZ-UHFFFAOYSA-N
XLogP3.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.59
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chlorothieno[2,3-b]pyridin-5-yl)ethanol?
The IUPAC name of 1-(2-bromo-6-chlorothieno[2,3-b]pyridin-5-yl)ethanol (CID 77230811) is 1-(2-bromo-6-chlorothieno[2,3-b]pyridin-5-yl)ethanol.
What is the SMILES notation for 1-(2-bromo-6-chlorothieno[2,3-b]pyridin-5-yl)ethanol?
The canonical SMILES for 1-(2-bromo-6-chlorothieno[2,3-b]pyridin-5-yl)ethanol is CC(O)c1cc2cc(Br)sc2nc1Cl.
What is the InChIKey of 1-(2-bromo-6-chlorothieno[2,3-b]pyridin-5-yl)ethanol?
The InChIKey is LNENWYQVQQGXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClNOS/c1-4(13)6-2-5-3-7(10)14-9(5)12-8(6)11/h2-4,13H,1H3.
What are the key properties of 1-(2-bromo-6-chlorothieno[2,3-b]pyridin-5-yl)ethanol?
1-(2-bromo-6-chlorothieno[2,3-b]pyridin-5-yl)ethanol has a molecular weight of 292.59 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chlorothieno[2,3-b]pyridin-5-yl)ethanol is sourced from PubChem (CID 77230811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).