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

C23H17BrN2 — CID 139238581

IUPAC4-(3-bromophenyl)-2-(4-methylphenyl)-6-pyridin-2-ylpyridine
SMILESCc1ccc(-c2cc(-c3cccc(Br)c3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C23H17BrN2/c1-16-8-10-17(11-9-16)22-14-19(18-5-4-6-20(24)13-18)15-23(26-22)21-7-2-3-12-25-21/h2-15H,1H3
InChIKeyUWKNLEPSAXDEMX-UHFFFAOYSA-N
MW401.31 g/mol
LogP6.55
Rot. Bonds3

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

4-(3-bromophenyl)-2-(4-methylphenyl)-6-pyridin-2-ylpyridine (PubChem CID 139238581) has the molecular formula C23H17BrN2 and a molecular weight of 401.31 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(4-methylphenyl)-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(4-methylphenyl)-6-pyridin-2-ylpyridine
PubChem CID139238581
Molecular FormulaC23H17BrN2
Molecular Weight401.31 g/mol
Exact Mass400.06
IUPAC Name4-(3-bromophenyl)-2-(4-methylphenyl)-6-pyridin-2-ylpyridine
SMILESCc1ccc(-c2cc(-c3cccc(Br)c3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C23H17BrN2/c1-16-8-10-17(11-9-16)22-14-19(18-5-4-6-20(24)13-18)15-23(26-22)21-7-2-3-12-25-21/h2-15H,1H3
InChIKeyUWKNLEPSAXDEMX-UHFFFAOYSA-N
XLogP6.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.31
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
4-[2-(3-Bromo-4-fluoro-phenyl)-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
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2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
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4-Benzyl-1-pyridin-2-ylmethyl-pyridinium
CID 16682375

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(4-methylphenyl)-6-pyridin-2-ylpyridine?
The IUPAC name of 4-(3-bromophenyl)-2-(4-methylphenyl)-6-pyridin-2-ylpyridine (CID 139238581) is 4-(3-bromophenyl)-2-(4-methylphenyl)-6-pyridin-2-ylpyridine.
What is the SMILES notation for 4-(3-bromophenyl)-2-(4-methylphenyl)-6-pyridin-2-ylpyridine?
The canonical SMILES for 4-(3-bromophenyl)-2-(4-methylphenyl)-6-pyridin-2-ylpyridine is Cc1ccc(-c2cc(-c3cccc(Br)c3)cc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-(3-bromophenyl)-2-(4-methylphenyl)-6-pyridin-2-ylpyridine?
The InChIKey is UWKNLEPSAXDEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2/c1-16-8-10-17(11-9-16)22-14-19(18-5-4-6-20(24)13-18)15-23(26-22)21-7-2-3-12-25-21/h2-15H,1H3.
What are the key properties of 4-(3-bromophenyl)-2-(4-methylphenyl)-6-pyridin-2-ylpyridine?
4-(3-bromophenyl)-2-(4-methylphenyl)-6-pyridin-2-ylpyridine has a molecular weight of 401.31 g/mol, XLogP of 6.55, 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-methylphenyl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 139238581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).