3-(2,2-dibromoethenyl)-4-pyrrol-1-ylpyridine

C11H8Br2N2 — CID 121220850

IUPAC3-(2,2-dibromoethenyl)-4-pyrrol-1-ylpyridine
SMILESBrC(Br)=Cc1cnccc1-n1cccc1
InChIInChI=1S/C11H8Br2N2/c12-11(13)7-9-8-14-4-3-10(9)15-5-1-2-6-15/h1-8H
InChIKeyDBZCVNQRAIAFCD-UHFFFAOYSA-N
MW328.01 g/mol
LogP3.96
Rot. Bonds2

About 3-(2,2-dibromoethenyl)-4-pyrrol-1-ylpyridine

3-(2,2-dibromoethenyl)-4-pyrrol-1-ylpyridine (PubChem CID 121220850) has the molecular formula C11H8Br2N2 and a molecular weight of 328.01 g/mol. Its IUPAC name is 3-(2,2-dibromoethenyl)-4-pyrrol-1-ylpyridine.

Molecular Properties

Compound Name3-(2,2-dibromoethenyl)-4-pyrrol-1-ylpyridine
PubChem CID121220850
Molecular FormulaC11H8Br2N2
Molecular Weight328.01 g/mol
Exact Mass325.91
IUPAC Name3-(2,2-dibromoethenyl)-4-pyrrol-1-ylpyridine
SMILESBrC(Br)=Cc1cnccc1-n1cccc1
InChIInChI=1S/C11H8Br2N2/c12-11(13)7-9-8-14-4-3-10(9)15-5-1-2-6-15/h1-8H
InChIKeyDBZCVNQRAIAFCD-UHFFFAOYSA-N
XLogP3.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.01
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dibromoethenyl)-4-pyrrol-1-ylpyridine?
The IUPAC name of 3-(2,2-dibromoethenyl)-4-pyrrol-1-ylpyridine (CID 121220850) is 3-(2,2-dibromoethenyl)-4-pyrrol-1-ylpyridine.
What is the SMILES notation for 3-(2,2-dibromoethenyl)-4-pyrrol-1-ylpyridine?
The canonical SMILES for 3-(2,2-dibromoethenyl)-4-pyrrol-1-ylpyridine is BrC(Br)=Cc1cnccc1-n1cccc1.
What is the InChIKey of 3-(2,2-dibromoethenyl)-4-pyrrol-1-ylpyridine?
The InChIKey is DBZCVNQRAIAFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2/c12-11(13)7-9-8-14-4-3-10(9)15-5-1-2-6-15/h1-8H.
What are the key properties of 3-(2,2-dibromoethenyl)-4-pyrrol-1-ylpyridine?
3-(2,2-dibromoethenyl)-4-pyrrol-1-ylpyridine has a molecular weight of 328.01 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dibromoethenyl)-4-pyrrol-1-ylpyridine is sourced from PubChem (CID 121220850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).