5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine

C12H17BrN2 — CID 107080841

IUPAC5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine
SMILESCc1cc(CBr)cnc1N1CCC(C)C1
InChIInChI=1S/C12H17BrN2/c1-9-3-4-15(8-9)12-10(2)5-11(6-13)7-14-12/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyGDXQHUYGTVNFRW-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.13
Rot. Bonds2

About 5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine

5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine (PubChem CID 107080841) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine
PubChem CID107080841
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine
SMILESCc1cc(CBr)cnc1N1CCC(C)C1
InChIInChI=1S/C12H17BrN2/c1-9-3-4-15(8-9)12-10(2)5-11(6-13)7-14-12/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyGDXQHUYGTVNFRW-UHFFFAOYSA-N
XLogP3.13
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.13
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

1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 107083279
1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80634863
5-(bromomethyl)-3-methyl-2-(3-propylpyrrolidin-1-yl)pyridine
CID 107085109
1-[5-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine
CID 80634790
5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine
CID 107080495
3-[5-(bromomethyl)-3-methyl-2-pyridinyl]-3-azabicyclo[3.3.1]nonane
CID 114196631
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine
CID 107080311
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine
CID 107083540
5-(bromomethyl)-2-(2,4-dimethylpyrrolidin-1-yl)-3-methylpyridine
CID 107085319
5-(bromomethyl)-2-(2,3-dimethylpiperidin-1-yl)-3-methylpyridine
CID 107082704
5-(bromomethyl)-3-methyl-2-(2-methylpiperidin-1-yl)pyridine
CID 107078920
[5-methyl-6-(3-methylazetidin-1-yl)-3-pyridinyl]methanol
CID 164658279

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine?
The IUPAC name of 5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine (CID 107080841) is 5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine is Cc1cc(CBr)cnc1N1CCC(C)C1.
What is the InChIKey of 5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine?
The InChIKey is GDXQHUYGTVNFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-9-3-4-15(8-9)12-10(2)5-11(6-13)7-14-12/h5,7,9H,3-4,6,8H2,1-2H3.
What are the key properties of 5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine?
5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine has a molecular weight of 269.19 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 107080841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).