2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine

C13H19BrN2 — CID 80679655

IUPAC2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine
SMILESCc1ccnc(N2CCCC2CCCBr)c1
InChIInChI=1S/C13H19BrN2/c1-11-6-8-15-13(10-11)16-9-3-5-12(16)4-2-7-14/h6,8,10,12H,2-5,7,9H2,1H3
InChIKeyJJVAQMCQWMPJMM-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.53
Rot. Bonds4

About 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine

2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine (PubChem CID 80679655) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine.

Molecular Properties

Compound Name2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine
PubChem CID80679655
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine
SMILESCc1ccnc(N2CCCC2CCCBr)c1
InChIInChI=1S/C13H19BrN2/c1-11-6-8-15-13(10-11)16-9-3-5-12(16)4-2-7-14/h6,8,10,12H,2-5,7,9H2,1H3
InChIKeyJJVAQMCQWMPJMM-UHFFFAOYSA-N
XLogP3.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.53
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-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine
CID 130534011
2-[1-(4-methyl-2-pyridinyl)piperidin-2-yl]ethanamine
CID 63766267
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 80679897
3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine
CID 80680463
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-5-fluoropyridine
CID 80679888
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635765
1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde
CID 62663428
4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine
CID 80679780
2-[4-(bromomethyl)piperidin-1-yl]-4-methylpyridine
CID 80668447
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine
CID 113371357
4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 113446660
3-[2-(3-bromopropyl)pyrrolidin-1-yl]-1-ethylpyrazin-2-one
CID 80680246

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine?
The IUPAC name of 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine (CID 80679655) is 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine.
What is the SMILES notation for 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine?
The canonical SMILES for 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine is Cc1ccnc(N2CCCC2CCCBr)c1.
What is the InChIKey of 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine?
The InChIKey is JJVAQMCQWMPJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-11-6-8-15-13(10-11)16-9-3-5-12(16)4-2-7-14/h6,8,10,12H,2-5,7,9H2,1H3.
What are the key properties of 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine?
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine has a molecular weight of 283.21 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-methylpyridine is sourced from PubChem (CID 80679655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).