3-(3-bromo-1-methylcyclopentyl)pyridine

C11H14BrN — CID 116540502

IUPAC3-(3-bromo-1-methylcyclopentyl)pyridine
SMILESCC1(c2cccnc2)CCC(Br)C1
InChIInChI=1S/C11H14BrN/c1-11(5-4-10(12)7-11)9-3-2-6-13-8-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyMNISKKKIKNNZLJ-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.29
Rot. Bonds1

About 3-(3-bromo-1-methylcyclopentyl)pyridine

3-(3-bromo-1-methylcyclopentyl)pyridine (PubChem CID 116540502) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 3-(3-bromo-1-methylcyclopentyl)pyridine.

Molecular Properties

Compound Name3-(3-bromo-1-methylcyclopentyl)pyridine
PubChem CID116540502
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name3-(3-bromo-1-methylcyclopentyl)pyridine
SMILESCC1(c2cccnc2)CCC(Br)C1
InChIInChI=1S/C11H14BrN/c1-11(5-4-10(12)7-11)9-3-2-6-13-8-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyMNISKKKIKNNZLJ-UHFFFAOYSA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3-bromo-1-methylcyclopentyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-bromo-1-methylcyclopentyl)-2-methylpyridine
CID 116540617
3-(3-bromo-1-methylcyclopentyl)-5-fluoropyridine
CID 116540734
ethane;3-(1-methylcyclobutyl)pyridine
CID 142353863
6-(3-bromo-1-methylcyclopentyl)quinoline
CID 116540828
4-(3-bromo-1-methylcyclopentyl)isoquinoline
CID 116540727
1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene
CID 114520246
1,2-dimethyl-2-pyridin-3-ylpyrrolidin-3-amine
CID 112709606
1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene
CID 116540616
(2-methyl-2-pyridin-3-ylcyclopropyl)methanol
CID 81358842
3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine
CID 175960409
3-fluoro-3-pyridin-3-ylcyclopentan-1-amine
CID 112565744
2-methyl-1-pyridin-3-ylcyclopentan-1-ol
CID 65049879

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-1-methylcyclopentyl)pyridine?
The IUPAC name of 3-(3-bromo-1-methylcyclopentyl)pyridine (CID 116540502) is 3-(3-bromo-1-methylcyclopentyl)pyridine.
What is the SMILES notation for 3-(3-bromo-1-methylcyclopentyl)pyridine?
The canonical SMILES for 3-(3-bromo-1-methylcyclopentyl)pyridine is CC1(c2cccnc2)CCC(Br)C1.
What is the InChIKey of 3-(3-bromo-1-methylcyclopentyl)pyridine?
The InChIKey is MNISKKKIKNNZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-11(5-4-10(12)7-11)9-3-2-6-13-8-9/h2-3,6,8,10H,4-5,7H2,1H3.
What are the key properties of 3-(3-bromo-1-methylcyclopentyl)pyridine?
3-(3-bromo-1-methylcyclopentyl)pyridine has a molecular weight of 240.14 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-1-methylcyclopentyl)pyridine is sourced from PubChem (CID 116540502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).