3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine

C13H18BrN3 — CID 104777419

IUPAC3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
SMILESBrc1cnccc1N1CCCC1C1CCCN1
InChIInChI=1S/C13H18BrN3/c14-10-9-15-7-5-12(10)17-8-2-4-13(17)11-3-1-6-16-11/h5,7,9,11,13,16H,1-4,6,8H2
InChIKeyHUFZADWQTFDHOB-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.56
Rot. Bonds2

About 3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine

3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine (PubChem CID 104777419) has the molecular formula C13H18BrN3 and a molecular weight of 296.21 g/mol. Its IUPAC name is 3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
PubChem CID104777419
Molecular FormulaC13H18BrN3
Molecular Weight296.21 g/mol
Exact Mass295.07
IUPAC Name3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
SMILESBrc1cnccc1N1CCCC1C1CCCN1
InChIInChI=1S/C13H18BrN3/c14-10-9-15-7-5-12(10)17-8-2-4-13(17)11-3-1-6-16-11/h5,7,9,11,13,16H,1-4,6,8H2
InChIKeyHUFZADWQTFDHOB-UHFFFAOYSA-N
XLogP2.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine?
The IUPAC name of 3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine (CID 104777419) is 3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine is Brc1cnccc1N1CCCC1C1CCCN1.
What is the InChIKey of 3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine?
The InChIKey is HUFZADWQTFDHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3/c14-10-9-15-7-5-12(10)17-8-2-4-13(17)11-3-1-6-16-11/h5,7,9,11,13,16H,1-4,6,8H2.
What are the key properties of 3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine?
3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine has a molecular weight of 296.21 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 104777419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).