5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine

C12H15Br2N — CID 104812252

IUPAC5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine
SMILESCC1C(Br)CCC1Cc1ccc(Br)cn1
InChIInChI=1S/C12H15Br2N/c1-8-9(2-5-12(8)14)6-11-4-3-10(13)7-15-11/h3-4,7-9,12H,2,5-6H2,1H3
InChIKeyGDZZUBWYUWIGHK-UHFFFAOYSA-N
MW333.07 g/mol
LogP4.20
Rot. Bonds2

About 5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine

5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine (PubChem CID 104812252) has the molecular formula C12H15Br2N and a molecular weight of 333.07 g/mol. Its IUPAC name is 5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine
PubChem CID104812252
Molecular FormulaC12H15Br2N
Molecular Weight333.07 g/mol
Exact Mass330.96
IUPAC Name5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine
SMILESCC1C(Br)CCC1Cc1ccc(Br)cn1
InChIInChI=1S/C12H15Br2N/c1-8-9(2-5-12(8)14)6-11-4-3-10(13)7-15-11/h3-4,7-9,12H,2,5-6H2,1H3
InChIKeyGDZZUBWYUWIGHK-UHFFFAOYSA-N
XLogP4.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.07
LogP ≤ 54.20
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

[2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine
CID 104813760
[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine
CID 104813752
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 104813876
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 104813864
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 104813879
3-[(5-ethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
CID 79737999
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 104800080
1-[4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 175662559
2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one
CID 104799754
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 115622551
1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 104801440
1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 115741486

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine?
The IUPAC name of 5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine (CID 104812252) is 5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine?
The canonical SMILES for 5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine is CC1C(Br)CCC1Cc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine?
The InChIKey is GDZZUBWYUWIGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N/c1-8-9(2-5-12(8)14)6-11-4-3-10(13)7-15-11/h3-4,7-9,12H,2,5-6H2,1H3.
What are the key properties of 5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine?
5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine has a molecular weight of 333.07 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine is sourced from PubChem (CID 104812252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).