5-bromo-2-[(Z)-2-thiophen-3-ylethenyl]pyridine

C11H8BrNS — CID 134857195

IUPAC5-bromo-2-[(Z)-2-thiophen-3-ylethenyl]pyridine
SMILESBrc1ccc(/C=C\c2ccsc2)nc1
InChIInChI=1S/C11H8BrNS/c12-10-2-4-11(13-7-10)3-1-9-5-6-14-8-9/h1-8H/b3-1-
InChIKeyMXWBKAMOVWNFDB-IWQZZHSRSA-N
MW266.16 g/mol
LogP4.08
Rot. Bonds2

About 5-bromo-2-[(Z)-2-thiophen-3-ylethenyl]pyridine

5-bromo-2-[(Z)-2-thiophen-3-ylethenyl]pyridine (PubChem CID 134857195) has the molecular formula C11H8BrNS and a molecular weight of 266.16 g/mol. Its IUPAC name is 5-bromo-2-[(Z)-2-thiophen-3-ylethenyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(Z)-2-thiophen-3-ylethenyl]pyridine
PubChem CID134857195
Molecular FormulaC11H8BrNS
Molecular Weight266.16 g/mol
Exact Mass264.96
IUPAC Name5-bromo-2-[(Z)-2-thiophen-3-ylethenyl]pyridine
SMILESBrc1ccc(/C=C\c2ccsc2)nc1
InChIInChI=1S/C11H8BrNS/c12-10-2-4-11(13-7-10)3-1-9-5-6-14-8-9/h1-8H/b3-1-
InChIKeyMXWBKAMOVWNFDB-IWQZZHSRSA-N
XLogP4.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(Z)-2-thiophen-3-ylethenyl]pyridine?
The IUPAC name of 5-bromo-2-[(Z)-2-thiophen-3-ylethenyl]pyridine (CID 134857195) is 5-bromo-2-[(Z)-2-thiophen-3-ylethenyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(Z)-2-thiophen-3-ylethenyl]pyridine?
The canonical SMILES for 5-bromo-2-[(Z)-2-thiophen-3-ylethenyl]pyridine is Brc1ccc(/C=C\c2ccsc2)nc1.
What is the InChIKey of 5-bromo-2-[(Z)-2-thiophen-3-ylethenyl]pyridine?
The InChIKey is MXWBKAMOVWNFDB-IWQZZHSRSA-N. The full InChI is InChI=1S/C11H8BrNS/c12-10-2-4-11(13-7-10)3-1-9-5-6-14-8-9/h1-8H/b3-1-.
What are the key properties of 5-bromo-2-[(Z)-2-thiophen-3-ylethenyl]pyridine?
5-bromo-2-[(Z)-2-thiophen-3-ylethenyl]pyridine has a molecular weight of 266.16 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(Z)-2-thiophen-3-ylethenyl]pyridine is sourced from PubChem (CID 134857195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).