3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine

C13H17BrClN — CID 104810190

IUPAC3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine
SMILESClC(CCc1cncc(Br)c1)C1CCCC1
InChIInChI=1S/C13H17BrClN/c14-12-7-10(8-16-9-12)5-6-13(15)11-3-1-2-4-11/h7-9,11,13H,1-6H2
InChIKeyPEOGEVUHLHTUHP-UHFFFAOYSA-N
MW302.64 g/mol
LogP4.57
Rot. Bonds4

About 3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine

3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine (PubChem CID 104810190) has the molecular formula C13H17BrClN and a molecular weight of 302.64 g/mol. Its IUPAC name is 3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine
PubChem CID104810190
Molecular FormulaC13H17BrClN
Molecular Weight302.64 g/mol
Exact Mass301.02
IUPAC Name3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine
SMILESClC(CCc1cncc(Br)c1)C1CCCC1
InChIInChI=1S/C13H17BrClN/c14-12-7-10(8-16-9-12)5-6-13(15)11-3-1-2-4-11/h7-9,11,13H,1-6H2
InChIKeyPEOGEVUHLHTUHP-UHFFFAOYSA-N
XLogP4.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.64
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

3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine
CID 104800164
3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 104800108
3-bromo-5-(3-chloropentyl)pyridine
CID 104810096
2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
CID 104800221
2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine
CID 104801480
(1S)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580020
(1R)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580046
3-bromo-5-(3-bromohexyl)pyridine
CID 104810133
1-(5-bromo-3-pyridinyl)hexan-3-amine
CID 104799822
3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 104810963
2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine
CID 104802475
2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide
CID 104797136

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine?
The IUPAC name of 3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine (CID 104810190) is 3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine.
What is the SMILES notation for 3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine?
The canonical SMILES for 3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine is ClC(CCc1cncc(Br)c1)C1CCCC1.
What is the InChIKey of 3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine?
The InChIKey is PEOGEVUHLHTUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN/c14-12-7-10(8-16-9-12)5-6-13(15)11-3-1-2-4-11/h7-9,11,13H,1-6H2.
What are the key properties of 3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine?
3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine has a molecular weight of 302.64 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine is sourced from PubChem (CID 104810190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).