2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine

C14H20BrN — CID 107186225

IUPAC2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Br)C1CCCC1C
InChIInChI=1S/C14H20BrN/c1-10-5-3-7-12(10)13(15)9-14-11(2)6-4-8-16-14/h4,6,8,10,12-13H,3,5,7,9H2,1-2H3
InChIKeyWPPKWIIUOBIVLT-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.13
Rot. Bonds3

About 2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine

2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine (PubChem CID 107186225) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine
PubChem CID107186225
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Br)C1CCCC1C
InChIInChI=1S/C14H20BrN/c1-10-5-3-7-12(10)13(15)9-14-11(2)6-4-8-16-14/h4,6,8,10,12-13H,3,5,7,9H2,1-2H3
InChIKeyWPPKWIIUOBIVLT-UHFFFAOYSA-N
XLogP4.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.13
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

1-(2-methylcyclopropyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66460705
1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446086
1-cyclooctyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446277
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
2-(2-bromo-5-methylhexyl)-3-methylpyridine
CID 66455289
2-(2-bromo-4-phenylbutyl)-3-methylpyridine
CID 66453126
2-(cyclopropylmethyl)-3-methylpyridine
CID 130382074
1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103164338
1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447669
2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine
CID 107186199
2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine
CID 66454197
2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine
CID 66453767

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine?
The IUPAC name of 2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine (CID 107186225) is 2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine is Cc1cccnc1CC(Br)C1CCCC1C.
What is the InChIKey of 2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine?
The InChIKey is WPPKWIIUOBIVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10-5-3-7-12(10)13(15)9-14-11(2)6-4-8-16-14/h4,6,8,10,12-13H,3,5,7,9H2,1-2H3.
What are the key properties of 2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine?
2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine has a molecular weight of 282.22 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(2-methylcyclopentyl)ethyl]-3-methylpyridine is sourced from PubChem (CID 107186225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).