2-(3,4-dibromophenyl)pyridine

C11H7Br2N — CID 628679

IUPAC2-(3,4-dibromophenyl)pyridine
SMILESBrc1ccc(-c2ccccn2)cc1Br
InChIInChI=1S/C11H7Br2N/c12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11/h1-7H
InChIKeyYXTYYWHWMDRGSD-UHFFFAOYSA-N
MW312.99 g/mol
LogP4.27
Rot. Bonds1

About 2-(3,4-dibromophenyl)pyridine

2-(3,4-dibromophenyl)pyridine (PubChem CID 628679) has the molecular formula C11H7Br2N and a molecular weight of 312.99 g/mol. Its IUPAC name is 2-(3,4-dibromophenyl)pyridine.

Molecular Properties

Compound Name2-(3,4-dibromophenyl)pyridine
PubChem CID628679
Molecular FormulaC11H7Br2N
Molecular Weight312.99 g/mol
Exact Mass310.89
IUPAC Name2-(3,4-dibromophenyl)pyridine
SMILESBrc1ccc(-c2ccccn2)cc1Br
InChIInChI=1S/C11H7Br2N/c12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11/h1-7H
InChIKeyYXTYYWHWMDRGSD-UHFFFAOYSA-N
XLogP4.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.99
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dibromophenyl)pyridine?
The IUPAC name of 2-(3,4-dibromophenyl)pyridine (CID 628679) is 2-(3,4-dibromophenyl)pyridine.
What is the SMILES notation for 2-(3,4-dibromophenyl)pyridine?
The canonical SMILES for 2-(3,4-dibromophenyl)pyridine is Brc1ccc(-c2ccccn2)cc1Br.
What is the InChIKey of 2-(3,4-dibromophenyl)pyridine?
The InChIKey is YXTYYWHWMDRGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2N/c12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11/h1-7H.
What are the key properties of 2-(3,4-dibromophenyl)pyridine?
2-(3,4-dibromophenyl)pyridine has a molecular weight of 312.99 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dibromophenyl)pyridine is sourced from PubChem (CID 628679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).