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

C11H15Br2N — CID 104810133

IUPAC3-bromo-5-(3-bromohexyl)pyridine
SMILESCCCC(Br)CCc1cncc(Br)c1
InChIInChI=1S/C11H15Br2N/c1-2-3-10(12)5-4-9-6-11(13)8-14-7-9/h6-8,10H,2-5H2,1H3
InChIKeyTYZLSPPYLFPIHL-UHFFFAOYSA-N
MW321.06 g/mol
LogP4.34
Rot. Bonds5

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

3-bromo-5-(3-bromohexyl)pyridine (PubChem CID 104810133) has the molecular formula C11H15Br2N and a molecular weight of 321.06 g/mol. Its IUPAC name is 3-bromo-5-(3-bromohexyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(3-bromohexyl)pyridine
PubChem CID104810133
Molecular FormulaC11H15Br2N
Molecular Weight321.06 g/mol
Exact Mass318.96
IUPAC Name3-bromo-5-(3-bromohexyl)pyridine
SMILESCCCC(Br)CCc1cncc(Br)c1
InChIInChI=1S/C11H15Br2N/c1-2-3-10(12)5-4-9-6-11(13)8-14-7-9/h6-8,10H,2-5H2,1H3
InChIKeyTYZLSPPYLFPIHL-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

1-(5-bromo-3-pyridinyl)hexan-3-amine
CID 104799822
3-bromo-5-(3-chloropentyl)pyridine
CID 104810096
5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
3-bromo-5-[(3S)-3-(2-methylpropoxy)pentyl]pyridine
CID 177207439
1-(5-bromo-3-pyridinyl)pentan-2-ylhydrazine
CID 105202011
4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine
CID 104800074
6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine
CID 104812007
5-(5-bromo-3-pyridinyl)-N-ethylpentan-2-amine
CID 104811963
3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine
CID 104810395
3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 104800108
4-(3-bromohexyl)-2-methylthiophene
CID 65102181
3-(5-bromo-3-pyridinyl)-N-methyl-1-phenylpropan-1-amine
CID 104799839

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-bromohexyl)pyridine?
The IUPAC name of 3-bromo-5-(3-bromohexyl)pyridine (CID 104810133) is 3-bromo-5-(3-bromohexyl)pyridine.
What is the SMILES notation for 3-bromo-5-(3-bromohexyl)pyridine?
The canonical SMILES for 3-bromo-5-(3-bromohexyl)pyridine is CCCC(Br)CCc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-(3-bromohexyl)pyridine?
The InChIKey is TYZLSPPYLFPIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N/c1-2-3-10(12)5-4-9-6-11(13)8-14-7-9/h6-8,10H,2-5H2,1H3.
What are the key properties of 3-bromo-5-(3-bromohexyl)pyridine?
3-bromo-5-(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 3-bromo-5-(3-bromohexyl)pyridine is sourced from PubChem (CID 104810133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).