4-bromo-7-(4-fluorophenyl)thieno[3,2-c]pyridin-6-amine

C13H8BrFN2S — CID 14737106

IUPAC4-bromo-7-(4-fluorophenyl)thieno[3,2-c]pyridin-6-amine
SMILESNc1nc(Br)c2ccsc2c1-c1ccc(F)cc1
InChIInChI=1S/C13H8BrFN2S/c14-12-9-5-6-18-11(9)10(13(16)17-12)7-1-3-8(15)4-2-7/h1-6H,(H2,16,17)
InChIKeySHJXLZBBKXZCBC-UHFFFAOYSA-N
MW323.19 g/mol
LogP4.45
Rot. Bonds1

About 4-bromo-7-(4-fluorophenyl)thieno[3,2-c]pyridin-6-amine

4-bromo-7-(4-fluorophenyl)thieno[3,2-c]pyridin-6-amine (PubChem CID 14737106) has the molecular formula C13H8BrFN2S and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-bromo-7-(4-fluorophenyl)thieno[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name4-bromo-7-(4-fluorophenyl)thieno[3,2-c]pyridin-6-amine
PubChem CID14737106
Molecular FormulaC13H8BrFN2S
Molecular Weight323.19 g/mol
Exact Mass321.96
IUPAC Name4-bromo-7-(4-fluorophenyl)thieno[3,2-c]pyridin-6-amine
SMILESNc1nc(Br)c2ccsc2c1-c1ccc(F)cc1
InChIInChI=1S/C13H8BrFN2S/c14-12-9-5-6-18-11(9)10(13(16)17-12)7-1-3-8(15)4-2-7/h1-6H,(H2,16,17)
InChIKeySHJXLZBBKXZCBC-UHFFFAOYSA-N
XLogP4.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 54.45
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 4-bromo-7-(4-fluorophenyl)thieno[3,2-c]pyridin-6-amine?
The IUPAC name of 4-bromo-7-(4-fluorophenyl)thieno[3,2-c]pyridin-6-amine (CID 14737106) is 4-bromo-7-(4-fluorophenyl)thieno[3,2-c]pyridin-6-amine.
What is the SMILES notation for 4-bromo-7-(4-fluorophenyl)thieno[3,2-c]pyridin-6-amine?
The canonical SMILES for 4-bromo-7-(4-fluorophenyl)thieno[3,2-c]pyridin-6-amine is Nc1nc(Br)c2ccsc2c1-c1ccc(F)cc1.
What is the InChIKey of 4-bromo-7-(4-fluorophenyl)thieno[3,2-c]pyridin-6-amine?
The InChIKey is SHJXLZBBKXZCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2S/c14-12-9-5-6-18-11(9)10(13(16)17-12)7-1-3-8(15)4-2-7/h1-6H,(H2,16,17).
What are the key properties of 4-bromo-7-(4-fluorophenyl)thieno[3,2-c]pyridin-6-amine?
4-bromo-7-(4-fluorophenyl)thieno[3,2-c]pyridin-6-amine has a molecular weight of 323.19 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-(4-fluorophenyl)thieno[3,2-c]pyridin-6-amine is sourced from PubChem (CID 14737106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).