4-(3-bromophenyl)-2-(4-bromophenyl)-6-pyridin-2-ylpyridine

C22H14Br2N2 — CID 139238580

IUPAC4-(3-bromophenyl)-2-(4-bromophenyl)-6-pyridin-2-ylpyridine
SMILESBrc1ccc(-c2cc(-c3cccc(Br)c3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C22H14Br2N2/c23-18-9-7-15(8-10-18)21-13-17(16-4-3-5-19(24)12-16)14-22(26-21)20-6-1-2-11-25-20/h1-14H
InChIKeyMTPBMZRPGYEGPC-UHFFFAOYSA-N
MW466.18 g/mol
LogP7.00
Rot. Bonds3

About 4-(3-bromophenyl)-2-(4-bromophenyl)-6-pyridin-2-ylpyridine

4-(3-bromophenyl)-2-(4-bromophenyl)-6-pyridin-2-ylpyridine (PubChem CID 139238580) has the molecular formula C22H14Br2N2 and a molecular weight of 466.18 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(4-bromophenyl)-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(4-bromophenyl)-6-pyridin-2-ylpyridine
PubChem CID139238580
Molecular FormulaC22H14Br2N2
Molecular Weight466.18 g/mol
Exact Mass463.95
IUPAC Name4-(3-bromophenyl)-2-(4-bromophenyl)-6-pyridin-2-ylpyridine
SMILESBrc1ccc(-c2cc(-c3cccc(Br)c3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C22H14Br2N2/c23-18-9-7-15(8-10-18)21-13-17(16-4-3-5-19(24)12-16)14-22(26-21)20-6-1-2-11-25-20/h1-14H
InChIKeyMTPBMZRPGYEGPC-UHFFFAOYSA-N
XLogP7.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.18
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(4-bromophenyl)-6-pyridin-2-ylpyridine?
The IUPAC name of 4-(3-bromophenyl)-2-(4-bromophenyl)-6-pyridin-2-ylpyridine (CID 139238580) is 4-(3-bromophenyl)-2-(4-bromophenyl)-6-pyridin-2-ylpyridine.
What is the SMILES notation for 4-(3-bromophenyl)-2-(4-bromophenyl)-6-pyridin-2-ylpyridine?
The canonical SMILES for 4-(3-bromophenyl)-2-(4-bromophenyl)-6-pyridin-2-ylpyridine is Brc1ccc(-c2cc(-c3cccc(Br)c3)cc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-(3-bromophenyl)-2-(4-bromophenyl)-6-pyridin-2-ylpyridine?
The InChIKey is MTPBMZRPGYEGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Br2N2/c23-18-9-7-15(8-10-18)21-13-17(16-4-3-5-19(24)12-16)14-22(26-21)20-6-1-2-11-25-20/h1-14H.
What are the key properties of 4-(3-bromophenyl)-2-(4-bromophenyl)-6-pyridin-2-ylpyridine?
4-(3-bromophenyl)-2-(4-bromophenyl)-6-pyridin-2-ylpyridine has a molecular weight of 466.18 g/mol, XLogP of 7.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(4-bromophenyl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 139238580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).