3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine

C16H10Br2N2 — CID 58321914

IUPAC3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine
SMILESBrc1cncc(-c2cccc(-c3cncc(Br)c3)c2)c1
InChIInChI=1S/C16H10Br2N2/c17-15-5-13(7-19-9-15)11-2-1-3-12(4-11)14-6-16(18)10-20-8-14/h1-10H
InChIKeyLJNFNMKNGMDWBJ-UHFFFAOYSA-N
MW390.08 g/mol
LogP5.34
Rot. Bonds2

About 3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine

3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine (PubChem CID 58321914) has the molecular formula C16H10Br2N2 and a molecular weight of 390.08 g/mol. Its IUPAC name is 3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine
PubChem CID58321914
Molecular FormulaC16H10Br2N2
Molecular Weight390.08 g/mol
Exact Mass387.92
IUPAC Name3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine
SMILESBrc1cncc(-c2cccc(-c3cncc(Br)c3)c2)c1
InChIInChI=1S/C16H10Br2N2/c17-15-5-13(7-19-9-15)11-2-1-3-12(4-11)14-6-16(18)10-20-8-14/h1-10H
InChIKeyLJNFNMKNGMDWBJ-UHFFFAOYSA-N
XLogP5.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.08
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine?
The IUPAC name of 3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine (CID 58321914) is 3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine.
What is the SMILES notation for 3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine?
The canonical SMILES for 3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine is Brc1cncc(-c2cccc(-c3cncc(Br)c3)c2)c1.
What is the InChIKey of 3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine?
The InChIKey is LJNFNMKNGMDWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2/c17-15-5-13(7-19-9-15)11-2-1-3-12(4-11)14-6-16(18)10-20-8-14/h1-10H.
What are the key properties of 3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine?
3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine has a molecular weight of 390.08 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine is sourced from PubChem (CID 58321914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).