bis(pyridine);1,4-xylene;hydrobromide

C18H21BrN2 — CID 70404637

IUPACbis(pyridine);1,4-xylene;hydrobromide
SMILESBr.Cc1ccc(C)cc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C8H10.2C5H5N.BrH/c1-7-3-5-8(2)6-4-7;2*1-2-4-6-5-3-1;/h3-6H,1-2H3;2*1-5H;1H
InChIKeySSZMHHGYQOWTLG-UHFFFAOYSA-N
MW345.28 g/mol
LogP5.04
Rot. Bonds

About bis(pyridine);1,4-xylene;hydrobromide

bis(pyridine);1,4-xylene;hydrobromide (PubChem CID 70404637) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is bis(pyridine);1,4-xylene;hydrobromide.

Molecular Properties

Compound Namebis(pyridine);1,4-xylene;hydrobromide
PubChem CID70404637
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Namebis(pyridine);1,4-xylene;hydrobromide
SMILESBr.Cc1ccc(C)cc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C8H10.2C5H5N.BrH/c1-7-3-5-8(2)6-4-7;2*1-2-4-6-5-3-1;/h3-6H,1-2H3;2*1-5H;1H
InChIKeySSZMHHGYQOWTLG-UHFFFAOYSA-N
XLogP5.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.28
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(pyridine);1,4-xylene;hydrobromide?
The IUPAC name of bis(pyridine);1,4-xylene;hydrobromide (CID 70404637) is bis(pyridine);1,4-xylene;hydrobromide.
What is the SMILES notation for bis(pyridine);1,4-xylene;hydrobromide?
The canonical SMILES for bis(pyridine);1,4-xylene;hydrobromide is Br.Cc1ccc(C)cc1.c1ccncc1.c1ccncc1.
What is the InChIKey of bis(pyridine);1,4-xylene;hydrobromide?
The InChIKey is SSZMHHGYQOWTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C5H5N.BrH/c1-7-3-5-8(2)6-4-7;2*1-2-4-6-5-3-1;/h3-6H,1-2H3;2*1-5H;1H.
What are the key properties of bis(pyridine);1,4-xylene;hydrobromide?
bis(pyridine);1,4-xylene;hydrobromide has a molecular weight of 345.28 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyridine);1,4-xylene;hydrobromide is sourced from PubChem (CID 70404637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).