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

C16H19BrN2 — CID 11758980

IUPAC2-(5-bromo-2-pyridinyl)-5-hexylpyridine
SMILESCCCCCCc1ccc(-c2ccc(Br)cn2)nc1
InChIInChI=1S/C16H19BrN2/c1-2-3-4-5-6-13-7-9-15(18-11-13)16-10-8-14(17)12-19-16/h7-12H,2-6H2,1H3
InChIKeyPPDPDBWRTDUMAB-UHFFFAOYSA-N
MW319.25 g/mol
LogP5.03
Rot. Bonds6

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

2-(5-bromo-2-pyridinyl)-5-hexylpyridine (PubChem CID 11758980) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-5-hexylpyridine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-5-hexylpyridine
PubChem CID11758980
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name2-(5-bromo-2-pyridinyl)-5-hexylpyridine
SMILESCCCCCCc1ccc(-c2ccc(Br)cn2)nc1
InChIInChI=1S/C16H19BrN2/c1-2-3-4-5-6-13-7-9-15(18-11-13)16-10-8-14(17)12-19-16/h7-12H,2-6H2,1H3
InChIKeyPPDPDBWRTDUMAB-UHFFFAOYSA-N
XLogP5.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.25
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Brompheniramine
CID 6834
2,2'-Bipyridine
CID 1474
Pheniramine
CID 4761
Zimelidine
CID 5365247
Azatadine
CID 19861
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Dexbrompheniramine
CID 16960
2-(3-Phenylpropyl)Pyridine
CID 459494
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
2,3'-Bipyridine
CID 11389
2-Phenylpyridine
CID 13887
1,3-Bis(4-pyridyl)propane
CID 87019

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-5-hexylpyridine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-5-hexylpyridine (CID 11758980) is 2-(5-bromo-2-pyridinyl)-5-hexylpyridine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-5-hexylpyridine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-5-hexylpyridine is CCCCCCc1ccc(-c2ccc(Br)cn2)nc1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-5-hexylpyridine?
The InChIKey is PPDPDBWRTDUMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-2-3-4-5-6-13-7-9-15(18-11-13)16-10-8-14(17)12-19-16/h7-12H,2-6H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-5-hexylpyridine?
2-(5-bromo-2-pyridinyl)-5-hexylpyridine has a molecular weight of 319.25 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-5-hexylpyridine is sourced from PubChem (CID 11758980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).