5-bromo-2-(4-fluorothian-4-yl)pyridine

C10H11BrFNS — CID 170987099

IUPAC5-bromo-2-(4-fluorothian-4-yl)pyridine
SMILESFC1(c2ccc(Br)cn2)CCSCC1
InChIInChI=1S/C10H11BrFNS/c11-8-1-2-9(13-7-8)10(12)3-5-14-6-4-10/h1-2,7H,3-6H2
InChIKeyBCXFCVNTUIHMKJ-UHFFFAOYSA-N
MW276.17 g/mol
LogP3.54
Rot. Bonds1

About 5-bromo-2-(4-fluorothian-4-yl)pyridine

5-bromo-2-(4-fluorothian-4-yl)pyridine (PubChem CID 170987099) has the molecular formula C10H11BrFNS and a molecular weight of 276.17 g/mol. Its IUPAC name is 5-bromo-2-(4-fluorothian-4-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(4-fluorothian-4-yl)pyridine
PubChem CID170987099
Molecular FormulaC10H11BrFNS
Molecular Weight276.17 g/mol
Exact Mass274.98
IUPAC Name5-bromo-2-(4-fluorothian-4-yl)pyridine
SMILESFC1(c2ccc(Br)cn2)CCSCC1
InChIInChI=1S/C10H11BrFNS/c11-8-1-2-9(13-7-8)10(12)3-5-14-6-4-10/h1-2,7H,3-6H2
InChIKeyBCXFCVNTUIHMKJ-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluorothian-4-yl)pyridine?
The IUPAC name of 5-bromo-2-(4-fluorothian-4-yl)pyridine (CID 170987099) is 5-bromo-2-(4-fluorothian-4-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(4-fluorothian-4-yl)pyridine?
The canonical SMILES for 5-bromo-2-(4-fluorothian-4-yl)pyridine is FC1(c2ccc(Br)cn2)CCSCC1.
What is the InChIKey of 5-bromo-2-(4-fluorothian-4-yl)pyridine?
The InChIKey is BCXFCVNTUIHMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNS/c11-8-1-2-9(13-7-8)10(12)3-5-14-6-4-10/h1-2,7H,3-6H2.
What are the key properties of 5-bromo-2-(4-fluorothian-4-yl)pyridine?
5-bromo-2-(4-fluorothian-4-yl)pyridine has a molecular weight of 276.17 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluorothian-4-yl)pyridine is sourced from PubChem (CID 170987099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).