5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine

C14H20BrN3 — CID 113234614

IUPAC5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
SMILESBrc1ccc(CN2CCC(N3CCCC3)C2)nc1
InChIInChI=1S/C14H20BrN3/c15-12-3-4-13(16-9-12)10-17-8-5-14(11-17)18-6-1-2-7-18/h3-4,9,14H,1-2,5-8,10-11H2
InChIKeyYAODCPZKGHMCHE-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.51
Rot. Bonds3

About 5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine

5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine (PubChem CID 113234614) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is 5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
PubChem CID113234614
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC Name5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
SMILESBrc1ccc(CN2CCC(N3CCCC3)C2)nc1
InChIInChI=1S/C14H20BrN3/c15-12-3-4-13(16-9-12)10-17-8-5-14(11-17)18-6-1-2-7-18/h3-4,9,14H,1-2,5-8,10-11H2
InChIKeyYAODCPZKGHMCHE-UHFFFAOYSA-N
XLogP2.51
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine
CID 55159178
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-methylpiperidin-3-ol
CID 103898383
1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 115741486
5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 115642522
1-[(5-bromo-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 115622557
6-[(5-bromo-2-pyridinyl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 115722974
[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol
CID 115622436
2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 79037923
1-[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 77085193
1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 99931796

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine?
The IUPAC name of 5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine (CID 113234614) is 5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine?
The canonical SMILES for 5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine is Brc1ccc(CN2CCC(N3CCCC3)C2)nc1.
What is the InChIKey of 5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine?
The InChIKey is YAODCPZKGHMCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3/c15-12-3-4-13(16-9-12)10-17-8-5-14(11-17)18-6-1-2-7-18/h3-4,9,14H,1-2,5-8,10-11H2.
What are the key properties of 5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine?
5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine has a molecular weight of 310.24 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine is sourced from PubChem (CID 113234614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).