5-bromo-2-(3-bromohexyl)pyridine

C11H15Br2N — CID 104810132

IUPAC5-bromo-2-(3-bromohexyl)pyridine
SMILESCCCC(Br)CCc1ccc(Br)cn1
InChIInChI=1S/C11H15Br2N/c1-2-3-9(12)4-6-11-7-5-10(13)8-14-11/h5,7-9H,2-4,6H2,1H3
InChIKeyYWYFJIGUZRSGDZ-UHFFFAOYSA-N
MW321.06 g/mol
LogP4.34
Rot. Bonds5

About 5-bromo-2-(3-bromohexyl)pyridine

5-bromo-2-(3-bromohexyl)pyridine (PubChem CID 104810132) has the molecular formula C11H15Br2N and a molecular weight of 321.06 g/mol. Its IUPAC name is 5-bromo-2-(3-bromohexyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(3-bromohexyl)pyridine
PubChem CID104810132
Molecular FormulaC11H15Br2N
Molecular Weight321.06 g/mol
Exact Mass318.96
IUPAC Name5-bromo-2-(3-bromohexyl)pyridine
SMILESCCCC(Br)CCc1ccc(Br)cn1
InChIInChI=1S/C11H15Br2N/c1-2-3-9(12)4-6-11-7-5-10(13)8-14-11/h5,7-9H,2-4,6H2,1H3
InChIKeyYWYFJIGUZRSGDZ-UHFFFAOYSA-N
XLogP4.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.06
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(3-bromopentyl)pyridine
CID 104810136
5-bromo-2-(3-chloropentyl)pyridine
CID 104810095
5-bromo-2-(4-chloroheptyl)pyridine
CID 104812176
4-(5-bromo-2-pyridinyl)-N-propylbutan-2-amine
CID 104799854
1-(5-bromo-2-pyridinyl)hexane-2,3-diol
CID 103454775
4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine
CID 104812047
5-bromo-2-[2-(chloromethyl)pentyl]pyridine
CID 104813262
1-(5-bromo-2-pyridinyl)-N-methyl-4-propoxybutan-2-amine
CID 105180890
1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine
CID 105036421
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
CID 105036427
6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine
CID 104812013
1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromohexyl)pyridine?
The IUPAC name of 5-bromo-2-(3-bromohexyl)pyridine (CID 104810132) is 5-bromo-2-(3-bromohexyl)pyridine.
What is the SMILES notation for 5-bromo-2-(3-bromohexyl)pyridine?
The canonical SMILES for 5-bromo-2-(3-bromohexyl)pyridine is CCCC(Br)CCc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(3-bromohexyl)pyridine?
The InChIKey is YWYFJIGUZRSGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N/c1-2-3-9(12)4-6-11-7-5-10(13)8-14-11/h5,7-9H,2-4,6H2,1H3.
What are the key properties of 5-bromo-2-(3-bromohexyl)pyridine?
5-bromo-2-(3-bromohexyl)pyridine has a molecular weight of 321.06 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromohexyl)pyridine is sourced from PubChem (CID 104810132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).