3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine

C11H15BrN2 — CID 83919940

IUPAC3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine
SMILESBrc1cccnc1CCN1CCCC1
InChIInChI=1S/C11H15BrN2/c12-10-4-3-6-13-11(10)5-9-14-7-1-2-8-14/h3-4,6H,1-2,5,7-9H2
InChIKeyRZGZFJLFJHAJQR-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.48
Rot. Bonds3

About 3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine

3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine (PubChem CID 83919940) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine
PubChem CID83919940
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine
SMILESBrc1cccnc1CCN1CCCC1
InChIInChI=1S/C11H15BrN2/c12-10-4-3-6-13-11(10)5-9-14-7-1-2-8-14/h3-4,6H,1-2,5,7-9H2
InChIKeyRZGZFJLFJHAJQR-UHFFFAOYSA-N
XLogP2.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(3-bromo-2-pyridinyl)propyl]morpholine
CID 170871440
3-bromo-2-(2-piperidin-1-ylethoxy)pyridine
CID 55136336
3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine
CID 130576197
3-isocyanato-2-(2-pyrrolidin-1-ylethyl)pyridine
CID 83917305
3-bromo-5-methyl-2-(2-pyrrolidin-1-ylethyl)pyridine
CID 83920354
(3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 130576098
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine
CID 130757500
1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130979733
3-(2-piperidin-1-ylethyl)pyridazine
CID 154363673
2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine
CID 87702483

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine?
The IUPAC name of 3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine (CID 83919940) is 3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine.
What is the SMILES notation for 3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine?
The canonical SMILES for 3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine is Brc1cccnc1CCN1CCCC1.
What is the InChIKey of 3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine?
The InChIKey is RZGZFJLFJHAJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-10-4-3-6-13-11(10)5-9-14-7-1-2-8-14/h3-4,6H,1-2,5,7-9H2.
What are the key properties of 3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine?
3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine has a molecular weight of 255.16 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine is sourced from PubChem (CID 83919940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).