3,5-bis(3-bromophenyl)pyridine

C17H11Br2N — CID 118679682

IUPAC3,5-bis(3-bromophenyl)pyridine
SMILESBrc1cccc(-c2cncc(-c3cccc(Br)c3)c2)c1
InChIInChI=1S/C17H11Br2N/c18-16-5-1-3-12(8-16)14-7-15(11-20-10-14)13-4-2-6-17(19)9-13/h1-11H
InChIKeyLISAMQDAPLFATH-UHFFFAOYSA-N
MW389.09 g/mol
LogP5.94
Rot. Bonds2

About 3,5-bis(3-bromophenyl)pyridine

3,5-bis(3-bromophenyl)pyridine (PubChem CID 118679682) has the molecular formula C17H11Br2N and a molecular weight of 389.09 g/mol. Its IUPAC name is 3,5-bis(3-bromophenyl)pyridine.

Molecular Properties

Compound Name3,5-bis(3-bromophenyl)pyridine
PubChem CID118679682
Molecular FormulaC17H11Br2N
Molecular Weight389.09 g/mol
Exact Mass386.93
IUPAC Name3,5-bis(3-bromophenyl)pyridine
SMILESBrc1cccc(-c2cncc(-c3cccc(Br)c3)c2)c1
InChIInChI=1S/C17H11Br2N/c18-16-5-1-3-12(8-16)14-7-15(11-20-10-14)13-4-2-6-17(19)9-13/h1-11H
InChIKeyLISAMQDAPLFATH-UHFFFAOYSA-N
XLogP5.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.09
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-bromophenyl)pyridine?
The IUPAC name of 3,5-bis(3-bromophenyl)pyridine (CID 118679682) is 3,5-bis(3-bromophenyl)pyridine.
What is the SMILES notation for 3,5-bis(3-bromophenyl)pyridine?
The canonical SMILES for 3,5-bis(3-bromophenyl)pyridine is Brc1cccc(-c2cncc(-c3cccc(Br)c3)c2)c1.
What is the InChIKey of 3,5-bis(3-bromophenyl)pyridine?
The InChIKey is LISAMQDAPLFATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2N/c18-16-5-1-3-12(8-16)14-7-15(11-20-10-14)13-4-2-6-17(19)9-13/h1-11H.
What are the key properties of 3,5-bis(3-bromophenyl)pyridine?
3,5-bis(3-bromophenyl)pyridine has a molecular weight of 389.09 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3-bromophenyl)pyridine is sourced from PubChem (CID 118679682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).