2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine

C17H25Br2NO — CID 115927255

IUPAC2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CC(CBr)(CBr)C2CCCC2)c1C
InChIInChI=1S/C17H25Br2NO/c1-12-9-20-15(13(2)16(12)21-3)8-17(10-18,11-19)14-6-4-5-7-14/h9,14H,4-8,10-11H2,1-3H3
InChIKeyQCNOOIISBCOPIW-UHFFFAOYSA-N
MW419.20 g/mol
LogP5.22
Rot. Bonds6

About 2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine

2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine (PubChem CID 115927255) has the molecular formula C17H25Br2NO and a molecular weight of 419.20 g/mol. Its IUPAC name is 2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine
PubChem CID115927255
Molecular FormulaC17H25Br2NO
Molecular Weight419.20 g/mol
Exact Mass417.03
IUPAC Name2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CC(CBr)(CBr)C2CCCC2)c1C
InChIInChI=1S/C17H25Br2NO/c1-12-9-20-15(13(2)16(12)21-3)8-17(10-18,11-19)14-6-4-5-7-14/h9,14H,4-8,10-11H2,1-3H3
InChIKeyQCNOOIISBCOPIW-UHFFFAOYSA-N
XLogP5.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.20
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 83147876
2-[2-(bromomethyl)-2-methylbut-3-enyl]-4-methoxy-3,5-dimethylpyridine
CID 102642172
2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine
CID 64507176
N-(2-bromoethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentanamine
CID 80672726
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-ol
CID 55125071
2-[2-(bromomethyl)-2-ethylhexyl]-4-methoxy-3,5-dimethylpyridine
CID 66050676
N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641130
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632503
1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol
CID 103457017
2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine
CID 115927285
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
CID 63278062
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 83261268

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine?
The IUPAC name of 2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine (CID 115927255) is 2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine is COc1c(C)cnc(CC(CBr)(CBr)C2CCCC2)c1C.
What is the InChIKey of 2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine?
The InChIKey is QCNOOIISBCOPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Br2NO/c1-12-9-20-15(13(2)16(12)21-3)8-17(10-18,11-19)14-6-4-5-7-14/h9,14H,4-8,10-11H2,1-3H3.
What are the key properties of 2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine?
2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine has a molecular weight of 419.20 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 115927255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).