2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine

C12H17BrN2 — CID 130534011

IUPAC2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine
SMILESCc1ccnc(N2CCCC2CCBr)c1
InChIInChI=1S/C12H17BrN2/c1-10-5-7-14-12(9-10)15-8-2-3-11(15)4-6-13/h5,7,9,11H,2-4,6,8H2,1H3
InChIKeyXHSIQEIBKAIHII-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.14
Rot. Bonds3

About 2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine

2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine (PubChem CID 130534011) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine.

Molecular Properties

Compound Name2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine
PubChem CID130534011
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine
SMILESCc1ccnc(N2CCCC2CCBr)c1
InChIInChI=1S/C12H17BrN2/c1-10-5-7-14-12(9-10)15-8-2-3-11(15)4-6-13/h5,7,9,11H,2-4,6,8H2,1H3
InChIKeyXHSIQEIBKAIHII-UHFFFAOYSA-N
XLogP3.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.14
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-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine
CID 80679655
2-[1-(4-methyl-2-pyridinyl)piperidin-2-yl]ethanamine
CID 63766267
1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde
CID 62663428
4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 80670776
2-[4-(bromomethyl)piperidin-1-yl]-4-methylpyridine
CID 80668447
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 80679897
4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 80663054
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine
CID 83062355
2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline
CID 112748091
2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 93394486
2-[4-(2-bromoethoxy)piperidin-1-yl]-4-methylpyridine
CID 82701052

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine?
The IUPAC name of 2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine (CID 130534011) is 2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine.
What is the SMILES notation for 2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine?
The canonical SMILES for 2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine is Cc1ccnc(N2CCCC2CCBr)c1.
What is the InChIKey of 2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine?
The InChIKey is XHSIQEIBKAIHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-10-5-7-14-12(9-10)15-8-2-3-11(15)4-6-13/h5,7,9,11H,2-4,6,8H2,1H3.
What are the key properties of 2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine?
2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine has a molecular weight of 269.19 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine is sourced from PubChem (CID 130534011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).