4-(4-bromophenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine

C23H18BrN3 — CID 11575257

IUPAC4-(4-bromophenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine
SMILESCc1ccnc(-c2cc(-c3ccc(Br)cc3)cc(-c3cc(C)ccn3)n2)c1
InChIInChI=1S/C23H18BrN3/c1-15-7-9-25-20(11-15)22-13-18(17-3-5-19(24)6-4-17)14-23(27-22)21-12-16(2)8-10-26-21/h3-14H,1-2H3
InChIKeyDYTPWAYNDSVFJL-UHFFFAOYSA-N
MW416.32 g/mol
LogP6.25
Rot. Bonds3

About 4-(4-bromophenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine

4-(4-bromophenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine (PubChem CID 11575257) has the molecular formula C23H18BrN3 and a molecular weight of 416.32 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine
PubChem CID11575257
Molecular FormulaC23H18BrN3
Molecular Weight416.32 g/mol
Exact Mass415.07
IUPAC Name4-(4-bromophenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine
SMILESCc1ccnc(-c2cc(-c3ccc(Br)cc3)cc(-c3cc(C)ccn3)n2)c1
InChIInChI=1S/C23H18BrN3/c1-15-7-9-25-20(11-15)22-13-18(17-3-5-19(24)6-4-17)14-23(27-22)21-12-16(2)8-10-26-21/h3-14H,1-2H3
InChIKeyDYTPWAYNDSVFJL-UHFFFAOYSA-N
XLogP6.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.32
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromophenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine?
The IUPAC name of 4-(4-bromophenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine (CID 11575257) is 4-(4-bromophenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine.
What is the SMILES notation for 4-(4-bromophenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine?
The canonical SMILES for 4-(4-bromophenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine is Cc1ccnc(-c2cc(-c3ccc(Br)cc3)cc(-c3cc(C)ccn3)n2)c1.
What is the InChIKey of 4-(4-bromophenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine?
The InChIKey is DYTPWAYNDSVFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3/c1-15-7-9-25-20(11-15)22-13-18(17-3-5-19(24)6-4-17)14-23(27-22)21-12-16(2)8-10-26-21/h3-14H,1-2H3.
What are the key properties of 4-(4-bromophenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine?
4-(4-bromophenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine has a molecular weight of 416.32 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2,6-bis(4-methyl-2-pyridinyl)pyridine is sourced from PubChem (CID 11575257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).