2-bromo-5-(5-bromo-4-hexyl-2-pyridinyl)-4-hexylpyridine

C22H30Br2N2 — CID 101342644

IUPAC2-bromo-5-(5-bromo-4-hexyl-2-pyridinyl)-4-hexylpyridine
SMILESCCCCCCc1cc(-c2cnc(Br)cc2CCCCCC)ncc1Br
InChIInChI=1S/C22H30Br2N2/c1-3-5-7-9-11-17-14-22(24)26-15-19(17)21-13-18(20(23)16-25-21)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3
InChIKeyTZIIKMBGJJINCY-UHFFFAOYSA-N
MW482.30 g/mol
LogP7.91
Rot. Bonds11

About 2-bromo-5-(5-bromo-4-hexyl-2-pyridinyl)-4-hexylpyridine

2-bromo-5-(5-bromo-4-hexyl-2-pyridinyl)-4-hexylpyridine (PubChem CID 101342644) has the molecular formula C22H30Br2N2 and a molecular weight of 482.30 g/mol. Its IUPAC name is 2-bromo-5-(5-bromo-4-hexyl-2-pyridinyl)-4-hexylpyridine.

Molecular Properties

Compound Name2-bromo-5-(5-bromo-4-hexyl-2-pyridinyl)-4-hexylpyridine
PubChem CID101342644
Molecular FormulaC22H30Br2N2
Molecular Weight482.30 g/mol
Exact Mass480.08
IUPAC Name2-bromo-5-(5-bromo-4-hexyl-2-pyridinyl)-4-hexylpyridine
SMILESCCCCCCc1cc(-c2cnc(Br)cc2CCCCCC)ncc1Br
InChIInChI=1S/C22H30Br2N2/c1-3-5-7-9-11-17-14-22(24)26-15-19(17)21-13-18(20(23)16-25-21)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3
InChIKeyTZIIKMBGJJINCY-UHFFFAOYSA-N
XLogP7.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.30
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene
CID 169036195
1-bromo-4,5-dimethyl-2-pentylbenzene
CID 123510060
5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-heptyl-2-pyridinyl]-4-heptylpyridine
CID 101010178
(4-bromo-3-hexylphenyl)-trimethylsilane
CID 59243947
3-bromo-4-heptylthiophene
CID 130384503
4-bromo-3-hexylphenol
CID 15007737
2-[4-[2-(4-bromo-2,5-dihexylphenyl)ethynyl]-2,5-dihexylphenyl]ethynyl-trimethylsilane
CID 10747186
2-bromo-5-pentylpyridine
CID 170248675
5-bromo-2-(3-fluoro-4-hexylphenyl)pyridine
CID 139662086
2-butyl-4,6-dihexylpyrimidine
CID 91010912
4-butyl-2,6-di(docosyl)pyridine
CID 91143668

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-bromo-4-hexyl-2-pyridinyl)-4-hexylpyridine?
The IUPAC name of 2-bromo-5-(5-bromo-4-hexyl-2-pyridinyl)-4-hexylpyridine (CID 101342644) is 2-bromo-5-(5-bromo-4-hexyl-2-pyridinyl)-4-hexylpyridine.
What is the SMILES notation for 2-bromo-5-(5-bromo-4-hexyl-2-pyridinyl)-4-hexylpyridine?
The canonical SMILES for 2-bromo-5-(5-bromo-4-hexyl-2-pyridinyl)-4-hexylpyridine is CCCCCCc1cc(-c2cnc(Br)cc2CCCCCC)ncc1Br.
What is the InChIKey of 2-bromo-5-(5-bromo-4-hexyl-2-pyridinyl)-4-hexylpyridine?
The InChIKey is TZIIKMBGJJINCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Br2N2/c1-3-5-7-9-11-17-14-22(24)26-15-19(17)21-13-18(20(23)16-25-21)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-bromo-5-(5-bromo-4-hexyl-2-pyridinyl)-4-hexylpyridine?
2-bromo-5-(5-bromo-4-hexyl-2-pyridinyl)-4-hexylpyridine has a molecular weight of 482.30 g/mol, XLogP of 7.91, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5-bromo-4-hexyl-2-pyridinyl)-4-hexylpyridine is sourced from PubChem (CID 101342644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).