1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3-(trifluoromethyl)cyclobutan-1-ol

C12H9ClF3NOS — CID 172542292

IUPAC1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3-(trifluoromethyl)cyclobutan-1-ol
SMILESOC1(c2cc3ccc(Cl)nc3s2)CC(C(F)(F)F)C1
InChIInChI=1S/C12H9ClF3NOS/c13-9-2-1-6-3-8(19-10(6)17-9)11(18)4-7(5-11)12(14,15)16/h1-3,7,18H,4-5H2
InChIKeyDJJRJMJHKLCXSC-UHFFFAOYSA-N
MW307.72 g/mol
LogP4.11
Rot. Bonds1

About 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3-(trifluoromethyl)cyclobutan-1-ol

1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 172542292) has the molecular formula C12H9ClF3NOS and a molecular weight of 307.72 g/mol. Its IUPAC name is 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3-(trifluoromethyl)cyclobutan-1-ol
PubChem CID172542292
Molecular FormulaC12H9ClF3NOS
Molecular Weight307.72 g/mol
Exact Mass307.00
IUPAC Name1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3-(trifluoromethyl)cyclobutan-1-ol
SMILESOC1(c2cc3ccc(Cl)nc3s2)CC(C(F)(F)F)C1
InChIInChI=1S/C12H9ClF3NOS/c13-9-2-1-6-3-8(19-10(6)17-9)11(18)4-7(5-11)12(14,15)16/h1-3,7,18H,4-5H2
InChIKeyDJJRJMJHKLCXSC-UHFFFAOYSA-N
XLogP4.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.72
LogP ≤ 54.11
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-(6-chlorothieno[2,3-b]pyridin-2-yl)-3-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3-(trifluoromethyl)cyclobutan-1-ol (CID 172542292) is 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3-(trifluoromethyl)cyclobutan-1-ol is OC1(c2cc3ccc(Cl)nc3s2)CC(C(F)(F)F)C1.
What is the InChIKey of 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is DJJRJMJHKLCXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NOS/c13-9-2-1-6-3-8(19-10(6)17-9)11(18)4-7(5-11)12(14,15)16/h1-3,7,18H,4-5H2.
What are the key properties of 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3-(trifluoromethyl)cyclobutan-1-ol?
1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 307.72 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 172542292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).