5-bromo-2-(4-chloroheptyl)pyridine

C12H17BrClN — CID 104812176

IUPAC5-bromo-2-(4-chloroheptyl)pyridine
SMILESCCCC(Cl)CCCc1ccc(Br)cn1
InChIInChI=1S/C12H17BrClN/c1-2-4-11(14)5-3-6-12-8-7-10(13)9-15-12/h7-9,11H,2-6H2,1H3
InChIKeyZRZMFLWDFCFMGF-UHFFFAOYSA-N
MW290.63 g/mol
LogP4.57
Rot. Bonds6

About 5-bromo-2-(4-chloroheptyl)pyridine

5-bromo-2-(4-chloroheptyl)pyridine (PubChem CID 104812176) has the molecular formula C12H17BrClN and a molecular weight of 290.63 g/mol. Its IUPAC name is 5-bromo-2-(4-chloroheptyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(4-chloroheptyl)pyridine
PubChem CID104812176
Molecular FormulaC12H17BrClN
Molecular Weight290.63 g/mol
Exact Mass289.02
IUPAC Name5-bromo-2-(4-chloroheptyl)pyridine
SMILESCCCC(Cl)CCCc1ccc(Br)cn1
InChIInChI=1S/C12H17BrClN/c1-2-4-11(14)5-3-6-12-8-7-10(13)9-15-12/h7-9,11H,2-6H2,1H3
InChIKeyZRZMFLWDFCFMGF-UHFFFAOYSA-N
XLogP4.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 54.57
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-chloropentyl)pyridine
CID 104810095
5-bromo-2-(3-bromohexyl)pyridine
CID 104810132
6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine
CID 104812013
5-bromo-2-(3-bromopentyl)pyridine
CID 104810136
5-bromo-2-[2-(chloromethyl)pentyl]pyridine
CID 104813262
1-(5-bromo-2-pyridinyl)hexane-2,3-diol
CID 103454775
3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 104810396
4-(5-bromo-2-pyridinyl)-N-propylbutan-2-amine
CID 104799854
4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine
CID 167637244
4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine
CID 104811937
5-bromo-2-(3-phenylpropyl)pyridine
CID 22127052
4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine
CID 104812047

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chloroheptyl)pyridine?
The IUPAC name of 5-bromo-2-(4-chloroheptyl)pyridine (CID 104812176) is 5-bromo-2-(4-chloroheptyl)pyridine.
What is the SMILES notation for 5-bromo-2-(4-chloroheptyl)pyridine?
The canonical SMILES for 5-bromo-2-(4-chloroheptyl)pyridine is CCCC(Cl)CCCc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(4-chloroheptyl)pyridine?
The InChIKey is ZRZMFLWDFCFMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClN/c1-2-4-11(14)5-3-6-12-8-7-10(13)9-15-12/h7-9,11H,2-6H2,1H3.
What are the key properties of 5-bromo-2-(4-chloroheptyl)pyridine?
5-bromo-2-(4-chloroheptyl)pyridine has a molecular weight of 290.63 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chloroheptyl)pyridine is sourced from PubChem (CID 104812176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).