2-bromo-4,6-bis(2,4,6-trimethylphenyl)pyridine

C23H24BrN — CID 131964998

IUPAC2-bromo-4,6-bis(2,4,6-trimethylphenyl)pyridine
SMILESCc1cc(C)c(-c2cc(Br)nc(-c3c(C)cc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C23H24BrN/c1-13-7-15(3)22(16(4)8-13)19-11-20(25-21(24)12-19)23-17(5)9-14(2)10-18(23)6/h7-12H,1-6H3
InChIKeyANWPPUBZBJQXBA-UHFFFAOYSA-N
MW394.36 g/mol
LogP7.03
Rot. Bonds2

About 2-bromo-4,6-bis(2,4,6-trimethylphenyl)pyridine

2-bromo-4,6-bis(2,4,6-trimethylphenyl)pyridine (PubChem CID 131964998) has the molecular formula C23H24BrN and a molecular weight of 394.36 g/mol. Its IUPAC name is 2-bromo-4,6-bis(2,4,6-trimethylphenyl)pyridine.

Molecular Properties

Compound Name2-bromo-4,6-bis(2,4,6-trimethylphenyl)pyridine
PubChem CID131964998
Molecular FormulaC23H24BrN
Molecular Weight394.36 g/mol
Exact Mass393.11
IUPAC Name2-bromo-4,6-bis(2,4,6-trimethylphenyl)pyridine
SMILESCc1cc(C)c(-c2cc(Br)nc(-c3c(C)cc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C23H24BrN/c1-13-7-15(3)22(16(4)8-13)19-11-20(25-21(24)12-19)23-17(5)9-14(2)10-18(23)6/h7-12H,1-6H3
InChIKeyANWPPUBZBJQXBA-UHFFFAOYSA-N
XLogP7.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.36
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-bis(2,4,6-trimethylphenyl)pyridine?
The IUPAC name of 2-bromo-4,6-bis(2,4,6-trimethylphenyl)pyridine (CID 131964998) is 2-bromo-4,6-bis(2,4,6-trimethylphenyl)pyridine.
What is the SMILES notation for 2-bromo-4,6-bis(2,4,6-trimethylphenyl)pyridine?
The canonical SMILES for 2-bromo-4,6-bis(2,4,6-trimethylphenyl)pyridine is Cc1cc(C)c(-c2cc(Br)nc(-c3c(C)cc(C)cc3C)c2)c(C)c1.
What is the InChIKey of 2-bromo-4,6-bis(2,4,6-trimethylphenyl)pyridine?
The InChIKey is ANWPPUBZBJQXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN/c1-13-7-15(3)22(16(4)8-13)19-11-20(25-21(24)12-19)23-17(5)9-14(2)10-18(23)6/h7-12H,1-6H3.
What are the key properties of 2-bromo-4,6-bis(2,4,6-trimethylphenyl)pyridine?
2-bromo-4,6-bis(2,4,6-trimethylphenyl)pyridine has a molecular weight of 394.36 g/mol, XLogP of 7.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-bis(2,4,6-trimethylphenyl)pyridine is sourced from PubChem (CID 131964998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).