4-(3-bromophenyl)-5-chloro-2-(2,4,6-trimethylphenyl)pyridine

C20H17BrClN — CID 102444231

IUPAC4-(3-bromophenyl)-5-chloro-2-(2,4,6-trimethylphenyl)pyridine
SMILESCc1cc(C)c(-c2cc(-c3cccc(Br)c3)c(Cl)cn2)c(C)c1
InChIInChI=1S/C20H17BrClN/c1-12-7-13(2)20(14(3)8-12)19-10-17(18(22)11-23-19)15-5-4-6-16(21)9-15/h4-11H,1-3H3
InChIKeyNBOYGQXVDQEWOL-UHFFFAOYSA-N
MW386.72 g/mol
LogP6.76
Rot. Bonds2

About 4-(3-bromophenyl)-5-chloro-2-(2,4,6-trimethylphenyl)pyridine

4-(3-bromophenyl)-5-chloro-2-(2,4,6-trimethylphenyl)pyridine (PubChem CID 102444231) has the molecular formula C20H17BrClN and a molecular weight of 386.72 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-chloro-2-(2,4,6-trimethylphenyl)pyridine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-chloro-2-(2,4,6-trimethylphenyl)pyridine
PubChem CID102444231
Molecular FormulaC20H17BrClN
Molecular Weight386.72 g/mol
Exact Mass385.02
IUPAC Name4-(3-bromophenyl)-5-chloro-2-(2,4,6-trimethylphenyl)pyridine
SMILESCc1cc(C)c(-c2cc(-c3cccc(Br)c3)c(Cl)cn2)c(C)c1
InChIInChI=1S/C20H17BrClN/c1-12-7-13(2)20(14(3)8-12)19-10-17(18(22)11-23-19)15-5-4-6-16(21)9-15/h4-11H,1-3H3
InChIKeyNBOYGQXVDQEWOL-UHFFFAOYSA-N
XLogP6.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.72
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-chloro-2-(2,4,6-trimethylphenyl)pyridine?
The IUPAC name of 4-(3-bromophenyl)-5-chloro-2-(2,4,6-trimethylphenyl)pyridine (CID 102444231) is 4-(3-bromophenyl)-5-chloro-2-(2,4,6-trimethylphenyl)pyridine.
What is the SMILES notation for 4-(3-bromophenyl)-5-chloro-2-(2,4,6-trimethylphenyl)pyridine?
The canonical SMILES for 4-(3-bromophenyl)-5-chloro-2-(2,4,6-trimethylphenyl)pyridine is Cc1cc(C)c(-c2cc(-c3cccc(Br)c3)c(Cl)cn2)c(C)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-chloro-2-(2,4,6-trimethylphenyl)pyridine?
The InChIKey is NBOYGQXVDQEWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrClN/c1-12-7-13(2)20(14(3)8-12)19-10-17(18(22)11-23-19)15-5-4-6-16(21)9-15/h4-11H,1-3H3.
What are the key properties of 4-(3-bromophenyl)-5-chloro-2-(2,4,6-trimethylphenyl)pyridine?
4-(3-bromophenyl)-5-chloro-2-(2,4,6-trimethylphenyl)pyridine has a molecular weight of 386.72 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-chloro-2-(2,4,6-trimethylphenyl)pyridine is sourced from PubChem (CID 102444231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).