4-(6-bromothieno[3,2-b]pyridin-7-yl)oxy-3-fluoroaniline

C13H8BrFN2OS — CID 59424676

IUPAC4-(6-bromothieno[3,2-b]pyridin-7-yl)oxy-3-fluoroaniline
SMILESNc1ccc(Oc2c(Br)cnc3ccsc23)c(F)c1
InChIInChI=1S/C13H8BrFN2OS/c14-8-6-17-10-3-4-19-13(10)12(8)18-11-2-1-7(16)5-9(11)15/h1-6H,16H2
InChIKeyPBHIHWJSVPSELK-UHFFFAOYSA-N
MW339.19 g/mol
LogP4.57
Rot. Bonds2

About 4-(6-bromothieno[3,2-b]pyridin-7-yl)oxy-3-fluoroaniline

4-(6-bromothieno[3,2-b]pyridin-7-yl)oxy-3-fluoroaniline (PubChem CID 59424676) has the molecular formula C13H8BrFN2OS and a molecular weight of 339.19 g/mol. Its IUPAC name is 4-(6-bromothieno[3,2-b]pyridin-7-yl)oxy-3-fluoroaniline.

Molecular Properties

Compound Name4-(6-bromothieno[3,2-b]pyridin-7-yl)oxy-3-fluoroaniline
PubChem CID59424676
Molecular FormulaC13H8BrFN2OS
Molecular Weight339.19 g/mol
Exact Mass337.95
IUPAC Name4-(6-bromothieno[3,2-b]pyridin-7-yl)oxy-3-fluoroaniline
SMILESNc1ccc(Oc2c(Br)cnc3ccsc23)c(F)c1
InChIInChI=1S/C13H8BrFN2OS/c14-8-6-17-10-3-4-19-13(10)12(8)18-11-2-1-7(16)5-9(11)15/h1-6H,16H2
InChIKeyPBHIHWJSVPSELK-UHFFFAOYSA-N
XLogP4.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromothieno[3,2-b]pyridin-7-yl)oxy-3-fluoroaniline?
The IUPAC name of 4-(6-bromothieno[3,2-b]pyridin-7-yl)oxy-3-fluoroaniline (CID 59424676) is 4-(6-bromothieno[3,2-b]pyridin-7-yl)oxy-3-fluoroaniline.
What is the SMILES notation for 4-(6-bromothieno[3,2-b]pyridin-7-yl)oxy-3-fluoroaniline?
The canonical SMILES for 4-(6-bromothieno[3,2-b]pyridin-7-yl)oxy-3-fluoroaniline is Nc1ccc(Oc2c(Br)cnc3ccsc23)c(F)c1.
What is the InChIKey of 4-(6-bromothieno[3,2-b]pyridin-7-yl)oxy-3-fluoroaniline?
The InChIKey is PBHIHWJSVPSELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2OS/c14-8-6-17-10-3-4-19-13(10)12(8)18-11-2-1-7(16)5-9(11)15/h1-6H,16H2.
What are the key properties of 4-(6-bromothieno[3,2-b]pyridin-7-yl)oxy-3-fluoroaniline?
4-(6-bromothieno[3,2-b]pyridin-7-yl)oxy-3-fluoroaniline has a molecular weight of 339.19 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromothieno[3,2-b]pyridin-7-yl)oxy-3-fluoroaniline is sourced from PubChem (CID 59424676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).