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

C10H13BrN2 — CID 11032027

IUPAC3-bromo-5-(1-methylpyrrolidin-2-yl)pyridine
SMILESCN1CCCC1c1cncc(Br)c1
InChIInChI=1S/C10H13BrN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3
InChIKeyVKHLFAFBADEABG-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.61
Rot. Bonds1

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

3-bromo-5-(1-methylpyrrolidin-2-yl)pyridine (PubChem CID 11032027) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 3-bromo-5-(1-methylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(1-methylpyrrolidin-2-yl)pyridine
PubChem CID11032027
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name3-bromo-5-(1-methylpyrrolidin-2-yl)pyridine
SMILESCN1CCCC1c1cncc(Br)c1
InChIInChI=1S/C10H13BrN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3
InChIKeyVKHLFAFBADEABG-UHFFFAOYSA-N
XLogP2.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1-methylpyrrolidin-2-yl)pyridine?
The IUPAC name of 3-bromo-5-(1-methylpyrrolidin-2-yl)pyridine (CID 11032027) is 3-bromo-5-(1-methylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(1-methylpyrrolidin-2-yl)pyridine?
The canonical SMILES for 3-bromo-5-(1-methylpyrrolidin-2-yl)pyridine is CN1CCCC1c1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-(1-methylpyrrolidin-2-yl)pyridine?
The InChIKey is VKHLFAFBADEABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3.
What are the key properties of 3-bromo-5-(1-methylpyrrolidin-2-yl)pyridine?
3-bromo-5-(1-methylpyrrolidin-2-yl)pyridine has a molecular weight of 241.13 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1-methylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 11032027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).