4-(6-bromohexyl)pyridine

C11H16BrN — CID 10633887

IUPAC4-(6-bromohexyl)pyridine
SMILESBrCCCCCCc1ccncc1
InChIInChI=1S/C11H16BrN/c12-8-4-2-1-3-5-11-6-9-13-10-7-11/h6-7,9-10H,1-5,8H2
InChIKeyWCBZGLDRFBEFHH-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.58
Rot. Bonds6

About 4-(6-bromohexyl)pyridine

4-(6-bromohexyl)pyridine (PubChem CID 10633887) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 4-(6-bromohexyl)pyridine.

Molecular Properties

Compound Name4-(6-bromohexyl)pyridine
PubChem CID10633887
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name4-(6-bromohexyl)pyridine
SMILESBrCCCCCCc1ccncc1
InChIInChI=1S/C11H16BrN/c12-8-4-2-1-3-5-11-6-9-13-10-7-11/h6-7,9-10H,1-5,8H2
InChIKeyWCBZGLDRFBEFHH-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(8-bromooctyl)benzene
CID 19907449
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
5-pyridin-4-ylpentylazanium chloride
CID 23273749
4-pyridin-4-ylbutylazanium chloride
CID 23273592
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
1-(10-bromodecyl)-4-chlorobenzene
CID 10782757
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-(7-bromoheptyl)pyrimidine
CID 171785163
6-pyridin-4-ylhexanoic acid
CID 12904562
4-(8-pyridin-4-yloct-4-enyl)pyridine
CID 67224624

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromohexyl)pyridine?
The IUPAC name of 4-(6-bromohexyl)pyridine (CID 10633887) is 4-(6-bromohexyl)pyridine.
What is the SMILES notation for 4-(6-bromohexyl)pyridine?
The canonical SMILES for 4-(6-bromohexyl)pyridine is BrCCCCCCc1ccncc1.
What is the InChIKey of 4-(6-bromohexyl)pyridine?
The InChIKey is WCBZGLDRFBEFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c12-8-4-2-1-3-5-11-6-9-13-10-7-11/h6-7,9-10H,1-5,8H2.
What are the key properties of 4-(6-bromohexyl)pyridine?
4-(6-bromohexyl)pyridine has a molecular weight of 242.16 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromohexyl)pyridine is sourced from PubChem (CID 10633887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).