1-(6-chloro-3-methylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol

C12H10ClF2NOS — CID 172542336

IUPAC1-(6-chloro-3-methylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol
SMILESCc1c(C2(O)CC(F)(F)C2)sc2nc(Cl)ccc12
InChIInChI=1S/C12H10ClF2NOS/c1-6-7-2-3-8(13)16-10(7)18-9(6)11(17)4-12(14,15)5-11/h2-3,17H,4-5H2,1H3
InChIKeyKPTWTVSIJOQNPA-UHFFFAOYSA-N
MW289.73 g/mol
LogP3.87
Rot. Bonds1

About 1-(6-chloro-3-methylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol

1-(6-chloro-3-methylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol (PubChem CID 172542336) has the molecular formula C12H10ClF2NOS and a molecular weight of 289.73 g/mol. Its IUPAC name is 1-(6-chloro-3-methylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol.

Molecular Properties

Compound Name1-(6-chloro-3-methylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol
PubChem CID172542336
Molecular FormulaC12H10ClF2NOS
Molecular Weight289.73 g/mol
Exact Mass289.01
IUPAC Name1-(6-chloro-3-methylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol
SMILESCc1c(C2(O)CC(F)(F)C2)sc2nc(Cl)ccc12
InChIInChI=1S/C12H10ClF2NOS/c1-6-7-2-3-8(13)16-10(7)18-9(6)11(17)4-12(14,15)5-11/h2-3,17H,4-5H2,1H3
InChIKeyKPTWTVSIJOQNPA-UHFFFAOYSA-N
XLogP3.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(6-chloro-3-methylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-methylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol?
The IUPAC name of 1-(6-chloro-3-methylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol (CID 172542336) is 1-(6-chloro-3-methylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol.
What is the SMILES notation for 1-(6-chloro-3-methylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol?
The canonical SMILES for 1-(6-chloro-3-methylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol is Cc1c(C2(O)CC(F)(F)C2)sc2nc(Cl)ccc12.
What is the InChIKey of 1-(6-chloro-3-methylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol?
The InChIKey is KPTWTVSIJOQNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NOS/c1-6-7-2-3-8(13)16-10(7)18-9(6)11(17)4-12(14,15)5-11/h2-3,17H,4-5H2,1H3.
What are the key properties of 1-(6-chloro-3-methylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol?
1-(6-chloro-3-methylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol has a molecular weight of 289.73 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-methylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol is sourced from PubChem (CID 172542336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).