2-benzyl-3-bromo-6-pyrrolidin-1-ylpyridine

C16H17BrN2 — CID 163757439

IUPAC2-benzyl-3-bromo-6-pyrrolidin-1-ylpyridine
SMILESBrc1ccc(N2CCCC2)nc1Cc1ccccc1
InChIInChI=1S/C16H17BrN2/c17-14-8-9-16(19-10-4-5-11-19)18-15(14)12-13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2
InChIKeyLVGXTVXIYPPYHH-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.04
Rot. Bonds3

About 2-benzyl-3-bromo-6-pyrrolidin-1-ylpyridine

2-benzyl-3-bromo-6-pyrrolidin-1-ylpyridine (PubChem CID 163757439) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 2-benzyl-3-bromo-6-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2-benzyl-3-bromo-6-pyrrolidin-1-ylpyridine
PubChem CID163757439
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name2-benzyl-3-bromo-6-pyrrolidin-1-ylpyridine
SMILESBrc1ccc(N2CCCC2)nc1Cc1ccccc1
InChIInChI=1S/C16H17BrN2/c17-14-8-9-16(19-10-4-5-11-19)18-15(14)12-13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2
InChIKeyLVGXTVXIYPPYHH-UHFFFAOYSA-N
XLogP4.04
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-bromo-6-pyrrolidin-1-ylpyridine?
The IUPAC name of 2-benzyl-3-bromo-6-pyrrolidin-1-ylpyridine (CID 163757439) is 2-benzyl-3-bromo-6-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2-benzyl-3-bromo-6-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2-benzyl-3-bromo-6-pyrrolidin-1-ylpyridine is Brc1ccc(N2CCCC2)nc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-bromo-6-pyrrolidin-1-ylpyridine?
The InChIKey is LVGXTVXIYPPYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c17-14-8-9-16(19-10-4-5-11-19)18-15(14)12-13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2.
What are the key properties of 2-benzyl-3-bromo-6-pyrrolidin-1-ylpyridine?
2-benzyl-3-bromo-6-pyrrolidin-1-ylpyridine has a molecular weight of 317.23 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-bromo-6-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 163757439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).