5-(bromomethyl)-2-(3-methylsulfanylpyrrolidin-1-yl)pyridine

C11H15BrN2S — CID 130757514

IUPAC5-(bromomethyl)-2-(3-methylsulfanylpyrrolidin-1-yl)pyridine
SMILESCSC1CCN(c2ccc(CBr)cn2)C1
InChIInChI=1S/C11H15BrN2S/c1-15-10-4-5-14(8-10)11-3-2-9(6-12)7-13-11/h2-3,7,10H,4-6,8H2,1H3
InChIKeyRREBWPZQKUJGQK-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.92
Rot. Bonds3

About 5-(bromomethyl)-2-(3-methylsulfanylpyrrolidin-1-yl)pyridine

5-(bromomethyl)-2-(3-methylsulfanylpyrrolidin-1-yl)pyridine (PubChem CID 130757514) has the molecular formula C11H15BrN2S and a molecular weight of 287.23 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(3-methylsulfanylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(3-methylsulfanylpyrrolidin-1-yl)pyridine
PubChem CID130757514
Molecular FormulaC11H15BrN2S
Molecular Weight287.23 g/mol
Exact Mass286.01
IUPAC Name5-(bromomethyl)-2-(3-methylsulfanylpyrrolidin-1-yl)pyridine
SMILESCSC1CCN(c2ccc(CBr)cn2)C1
InChIInChI=1S/C11H15BrN2S/c1-15-10-4-5-14(8-10)11-3-2-9(6-12)7-13-11/h2-3,7,10H,4-6,8H2,1H3
InChIKeyRREBWPZQKUJGQK-UHFFFAOYSA-N
XLogP2.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
CID 107085467
2-bromo-5-(3-methylsulfanylpyrrolidin-1-yl)pyrazine
CID 130979036
1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine
CID 107079304
(1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 114237247
1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166581
N-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 63169327
1-[5-(bromomethyl)-2-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 107079265
2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 80679968
1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine
CID 80635204
5-(bromomethyl)-2-(3,4-dimethylpiperidin-1-yl)pyrimidine
CID 107085225
1-benzyl-4-[5-(bromomethyl)-2-pyridinyl]piperazine
CID 107079127
1-[1-[5-(bromomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 107082892

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(3-methylsulfanylpyrrolidin-1-yl)pyridine?
The IUPAC name of 5-(bromomethyl)-2-(3-methylsulfanylpyrrolidin-1-yl)pyridine (CID 130757514) is 5-(bromomethyl)-2-(3-methylsulfanylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(3-methylsulfanylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 5-(bromomethyl)-2-(3-methylsulfanylpyrrolidin-1-yl)pyridine is CSC1CCN(c2ccc(CBr)cn2)C1.
What is the InChIKey of 5-(bromomethyl)-2-(3-methylsulfanylpyrrolidin-1-yl)pyridine?
The InChIKey is RREBWPZQKUJGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2S/c1-15-10-4-5-14(8-10)11-3-2-9(6-12)7-13-11/h2-3,7,10H,4-6,8H2,1H3.
What are the key properties of 5-(bromomethyl)-2-(3-methylsulfanylpyrrolidin-1-yl)pyridine?
5-(bromomethyl)-2-(3-methylsulfanylpyrrolidin-1-yl)pyridine has a molecular weight of 287.23 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(3-methylsulfanylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 130757514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).