3-bromo-2-pyrrolidin-1-ylpyridine

C9H11BrN2 — CID 46739525

IUPAC3-bromo-2-pyrrolidin-1-ylpyridine
SMILESBrc1cccnc1N1CCCC1
InChIInChI=1S/C9H11BrN2/c10-8-4-3-5-11-9(8)12-6-1-2-7-12/h3-5H,1-2,6-7H2
InChIKeyUKSFRLYYEAXUKE-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.44
Rot. Bonds1

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

3-bromo-2-pyrrolidin-1-ylpyridine (PubChem CID 46739525) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is 3-bromo-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name3-bromo-2-pyrrolidin-1-ylpyridine
PubChem CID46739525
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name3-bromo-2-pyrrolidin-1-ylpyridine
SMILESBrc1cccnc1N1CCCC1
InChIInChI=1S/C9H11BrN2/c10-8-4-3-5-11-9(8)12-6-1-2-7-12/h3-5H,1-2,6-7H2
InChIKeyUKSFRLYYEAXUKE-UHFFFAOYSA-N
XLogP2.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 3-bromo-2-pyrrolidin-1-ylpyridine (CID 46739525) is 3-bromo-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 3-bromo-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 3-bromo-2-pyrrolidin-1-ylpyridine is Brc1cccnc1N1CCCC1.
What is the InChIKey of 3-bromo-2-pyrrolidin-1-ylpyridine?
The InChIKey is UKSFRLYYEAXUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c10-8-4-3-5-11-9(8)12-6-1-2-7-12/h3-5H,1-2,6-7H2.
What are the key properties of 3-bromo-2-pyrrolidin-1-ylpyridine?
3-bromo-2-pyrrolidin-1-ylpyridine has a molecular weight of 227.10 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 46739525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).