2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-thiophen-3-ylethanol

C11H10ClFN2OS — CID 103738599

IUPAC2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
SMILESOC(CNc1ncc(Cl)cc1F)c1ccsc1
InChIInChI=1S/C11H10ClFN2OS/c12-8-3-9(13)11(14-4-8)15-5-10(16)7-1-2-17-6-7/h1-4,6,10,16H,5H2,(H,14,15)
InChIKeyGOYBGOSATOYYNK-UHFFFAOYSA-N
MW272.73 g/mol
LogP3.08
Rot. Bonds4

About 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-thiophen-3-ylethanol

2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-thiophen-3-ylethanol (PubChem CID 103738599) has the molecular formula C11H10ClFN2OS and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
PubChem CID103738599
Molecular FormulaC11H10ClFN2OS
Molecular Weight272.73 g/mol
Exact Mass272.02
IUPAC Name2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
SMILESOC(CNc1ncc(Cl)cc1F)c1ccsc1
InChIInChI=1S/C11H10ClFN2OS/c12-8-3-9(13)11(14-4-8)15-5-10(16)7-1-2-17-6-7/h1-4,6,10,16H,5H2,(H,14,15)
InChIKeyGOYBGOSATOYYNK-UHFFFAOYSA-N
XLogP3.08
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-thiophen-3-ylethanol 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 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-thiophen-3-ylethanol (CID 103738599) is 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-thiophen-3-ylethanol is OC(CNc1ncc(Cl)cc1F)c1ccsc1.
What is the InChIKey of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The InChIKey is GOYBGOSATOYYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2OS/c12-8-3-9(13)11(14-4-8)15-5-10(16)7-1-2-17-6-7/h1-4,6,10,16H,5H2,(H,14,15).
What are the key properties of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-thiophen-3-ylethanol has a molecular weight of 272.73 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103738599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).