3-(4-bromothiophen-2-yl)pyridine

C9H6BrNS — CID 22180781

IUPAC3-(4-bromothiophen-2-yl)pyridine
SMILESBrc1csc(-c2cccnc2)c1
InChIInChI=1S/C9H6BrNS/c10-8-4-9(12-6-8)7-2-1-3-11-5-7/h1-6H
InChIKeyOGQAAIZFKWUZGL-UHFFFAOYSA-N
MW240.13 g/mol
LogP3.57
Rot. Bonds1

About 3-(4-bromothiophen-2-yl)pyridine

3-(4-bromothiophen-2-yl)pyridine (PubChem CID 22180781) has the molecular formula C9H6BrNS and a molecular weight of 240.13 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)pyridine.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)pyridine
PubChem CID22180781
Molecular FormulaC9H6BrNS
Molecular Weight240.13 g/mol
Exact Mass238.94
IUPAC Name3-(4-bromothiophen-2-yl)pyridine
SMILESBrc1csc(-c2cccnc2)c1
InChIInChI=1S/C9H6BrNS/c10-8-4-9(12-6-8)7-2-1-3-11-5-7/h1-6H
InChIKeyOGQAAIZFKWUZGL-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)pyridine?
The IUPAC name of 3-(4-bromothiophen-2-yl)pyridine (CID 22180781) is 3-(4-bromothiophen-2-yl)pyridine.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)pyridine?
The canonical SMILES for 3-(4-bromothiophen-2-yl)pyridine is Brc1csc(-c2cccnc2)c1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)pyridine?
The InChIKey is OGQAAIZFKWUZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNS/c10-8-4-9(12-6-8)7-2-1-3-11-5-7/h1-6H.
What are the key properties of 3-(4-bromothiophen-2-yl)pyridine?
3-(4-bromothiophen-2-yl)pyridine has a molecular weight of 240.13 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)pyridine is sourced from PubChem (CID 22180781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).