2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine

C15H23BrN2O2 — CID 103174004

IUPAC2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(CN2CCCC2CCCBr)c1OC
InChIInChI=1S/C15H23BrN2O2/c1-19-14-7-9-17-13(15(14)20-2)11-18-10-4-6-12(18)5-3-8-16/h7,9,12H,3-6,8,10-11H2,1-2H3
InChIKeySJLSGLMEMJLAAS-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.24
Rot. Bonds7

About 2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine

2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine (PubChem CID 103174004) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine.

Molecular Properties

Compound Name2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine
PubChem CID103174004
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(CN2CCCC2CCCBr)c1OC
InChIInChI=1S/C15H23BrN2O2/c1-19-14-7-9-17-13(15(14)20-2)11-18-10-4-6-12(18)5-3-8-16/h7,9,12H,3-6,8,10-11H2,1-2H3
InChIKeySJLSGLMEMJLAAS-UHFFFAOYSA-N
XLogP3.24
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-one
CID 103172885
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 103173140
2-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine
CID 103174046
2-(3-bromopropyl)-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 80691067
2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-6-methoxypyridine
CID 80690069
1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperazine-2-carbonitrile
CID 103173617
2-(3-bromopropyl)-1-[(4-iodophenyl)methyl]pyrrolidine
CID 80690776
3,4-dimethoxy-2-[[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 129487509
2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine
CID 112651342
1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol
CID 103173821
4-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(2-methoxycyclopentyl)morpholine
CID 167762268
3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 122139214

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine?
The IUPAC name of 2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine (CID 103174004) is 2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine.
What is the SMILES notation for 2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine?
The canonical SMILES for 2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine is COc1ccnc(CN2CCCC2CCCBr)c1OC.
What is the InChIKey of 2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine?
The InChIKey is SJLSGLMEMJLAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-19-14-7-9-17-13(15(14)20-2)11-18-10-4-6-12(18)5-3-8-16/h7,9,12H,3-6,8,10-11H2,1-2H3.
What are the key properties of 2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine?
2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine has a molecular weight of 343.27 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine is sourced from PubChem (CID 103174004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).