4-(2,4,5-tribromothiophen-3-yl)pyridine

C9H4Br3NS — CID 15937589

IUPAC4-(2,4,5-tribromothiophen-3-yl)pyridine
SMILESBrc1sc(Br)c(-c2ccncc2)c1Br
InChIInChI=1S/C9H4Br3NS/c10-7-6(8(11)14-9(7)12)5-1-3-13-4-2-5/h1-4H
InChIKeyBAYPEAKFBSUWIJ-UHFFFAOYSA-N
MW397.92 g/mol
LogP5.10
Rot. Bonds1

About 4-(2,4,5-tribromothiophen-3-yl)pyridine

4-(2,4,5-tribromothiophen-3-yl)pyridine (PubChem CID 15937589) has the molecular formula C9H4Br3NS and a molecular weight of 397.92 g/mol. Its IUPAC name is 4-(2,4,5-tribromothiophen-3-yl)pyridine.

Molecular Properties

Compound Name4-(2,4,5-tribromothiophen-3-yl)pyridine
PubChem CID15937589
Molecular FormulaC9H4Br3NS
Molecular Weight397.92 g/mol
Exact Mass394.76
IUPAC Name4-(2,4,5-tribromothiophen-3-yl)pyridine
SMILESBrc1sc(Br)c(-c2ccncc2)c1Br
InChIInChI=1S/C9H4Br3NS/c10-7-6(8(11)14-9(7)12)5-1-3-13-4-2-5/h1-4H
InChIKeyBAYPEAKFBSUWIJ-UHFFFAOYSA-N
XLogP5.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.92
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4,5-tribromothiophen-3-yl)pyridine?
The IUPAC name of 4-(2,4,5-tribromothiophen-3-yl)pyridine (CID 15937589) is 4-(2,4,5-tribromothiophen-3-yl)pyridine.
What is the SMILES notation for 4-(2,4,5-tribromothiophen-3-yl)pyridine?
The canonical SMILES for 4-(2,4,5-tribromothiophen-3-yl)pyridine is Brc1sc(Br)c(-c2ccncc2)c1Br.
What is the InChIKey of 4-(2,4,5-tribromothiophen-3-yl)pyridine?
The InChIKey is BAYPEAKFBSUWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br3NS/c10-7-6(8(11)14-9(7)12)5-1-3-13-4-2-5/h1-4H.
What are the key properties of 4-(2,4,5-tribromothiophen-3-yl)pyridine?
4-(2,4,5-tribromothiophen-3-yl)pyridine has a molecular weight of 397.92 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,5-tribromothiophen-3-yl)pyridine is sourced from PubChem (CID 15937589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).