3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine

C11H15BrN2 — CID 104531587

IUPAC3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine
SMILESCCC1CCCN1c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2/c1-2-10-4-3-5-14(10)11-6-9(12)7-13-8-11/h6-8,10H,2-5H2,1H3
InChIKeyNQIVMXNGDKFTHJ-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.22
Rot. Bonds2

About 3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine

3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine (PubChem CID 104531587) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine
PubChem CID104531587
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine
SMILESCCC1CCCN1c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2/c1-2-10-4-3-5-14(10)11-6-9(12)7-13-8-11/h6-8,10H,2-5H2,1H3
InChIKeyNQIVMXNGDKFTHJ-UHFFFAOYSA-N
XLogP3.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine?
The IUPAC name of 3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine (CID 104531587) is 3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine is CCC1CCCN1c1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine?
The InChIKey is NQIVMXNGDKFTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-2-10-4-3-5-14(10)11-6-9(12)7-13-8-11/h6-8,10H,2-5H2,1H3.
What are the key properties of 3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine?
3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine has a molecular weight of 255.16 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 104531587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).