5-bromo-2-[2-(chloromethyl)pentyl]pyridine

C11H15BrClN — CID 104813262

IUPAC5-bromo-2-[2-(chloromethyl)pentyl]pyridine
SMILESCCCC(CCl)Cc1ccc(Br)cn1
InChIInChI=1S/C11H15BrClN/c1-2-3-9(7-13)6-11-5-4-10(12)8-14-11/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyTUZBTGRZDFXAEU-UHFFFAOYSA-N
MW276.60 g/mol
LogP4.04
Rot. Bonds5

About 5-bromo-2-[2-(chloromethyl)pentyl]pyridine

5-bromo-2-[2-(chloromethyl)pentyl]pyridine (PubChem CID 104813262) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is 5-bromo-2-[2-(chloromethyl)pentyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[2-(chloromethyl)pentyl]pyridine
PubChem CID104813262
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Name5-bromo-2-[2-(chloromethyl)pentyl]pyridine
SMILESCCCC(CCl)Cc1ccc(Br)cn1
InChIInChI=1S/C11H15BrClN/c1-2-3-9(7-13)6-11-5-4-10(12)8-14-11/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyTUZBTGRZDFXAEU-UHFFFAOYSA-N
XLogP4.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 54.04
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-chloro-2-methylpropyl)pyridine
CID 104813254
1-(5-bromo-2-pyridinyl)hexane-2,3-diol
CID 103454775
5-bromo-2-[2-(chloromethyl)-3,3-dimethylbutyl]pyridine
CID 104813393
2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 104810470
5-bromo-2-(3-bromohexyl)pyridine
CID 104810132
5-bromo-2-(4-chloroheptyl)pyridine
CID 104812176
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
CID 105036427
5-bromo-2-(3-chloropentyl)pyridine
CID 104810095
2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine
CID 104810480
1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine
CID 105036421
4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol
CID 174649547
1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine
CID 104803172

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(chloromethyl)pentyl]pyridine?
The IUPAC name of 5-bromo-2-[2-(chloromethyl)pentyl]pyridine (CID 104813262) is 5-bromo-2-[2-(chloromethyl)pentyl]pyridine.
What is the SMILES notation for 5-bromo-2-[2-(chloromethyl)pentyl]pyridine?
The canonical SMILES for 5-bromo-2-[2-(chloromethyl)pentyl]pyridine is CCCC(CCl)Cc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[2-(chloromethyl)pentyl]pyridine?
The InChIKey is TUZBTGRZDFXAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-2-3-9(7-13)6-11-5-4-10(12)8-14-11/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 5-bromo-2-[2-(chloromethyl)pentyl]pyridine?
5-bromo-2-[2-(chloromethyl)pentyl]pyridine has a molecular weight of 276.60 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(chloromethyl)pentyl]pyridine is sourced from PubChem (CID 104813262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).