5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine

C12H16BrClN2 — CID 102785132

IUPAC5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
SMILESCC1CCN(Cc2ccc(Br)cn2)C1CCl
InChIInChI=1S/C12H16BrClN2/c1-9-4-5-16(12(9)6-14)8-11-3-2-10(13)7-15-11/h2-3,7,9,12H,4-6,8H2,1H3
InChIKeyLCNLARRGKRWFJA-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.29
Rot. Bonds3

About 5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine

5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine (PubChem CID 102785132) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
PubChem CID102785132
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
SMILESCC1CCN(Cc2ccc(Br)cn2)C1CCl
InChIInChI=1S/C12H16BrClN2/c1-9-4-5-16(12(9)6-14)8-11-3-2-10(13)7-15-11/h2-3,7,9,12H,4-6,8H2,1H3
InChIKeyLCNLARRGKRWFJA-UHFFFAOYSA-N
XLogP3.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.29
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-[(3-bromophenyl)methyl]-2-(chloromethyl)-3-methylpyrrolidine
CID 102784977
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898383
5-bromo-2-[(2,5-dimethylpiperidin-1-yl)methyl]pyridine
CID 115666639
3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-1-propan-2-ylpyrazole
CID 102784910
1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 115741486
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 104808848
3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
CID 102784644
5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine
CID 164659359
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 23438151
1-[1-[(5-bromo-2-pyridinyl)methyl]azepan-2-yl]propan-2-ol
CID 114338968
1-[(5-bromo-2-pyridinyl)methyl]-3-tert-butyl-7-methyl-1,4-diazepane
CID 104812657

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine (CID 102785132) is 5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine is CC1CCN(Cc2ccc(Br)cn2)C1CCl.
What is the InChIKey of 5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine?
The InChIKey is LCNLARRGKRWFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-9-4-5-16(12(9)6-14)8-11-3-2-10(13)7-15-11/h2-3,7,9,12H,4-6,8H2,1H3.
What are the key properties of 5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine?
5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine has a molecular weight of 303.63 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 102785132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).