5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine

C11H15BrN2 — CID 63218652

IUPAC5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine
SMILESCC1(C)CCCN1c1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2/c1-11(2)6-3-7-14(11)10-5-4-9(12)8-13-10/h4-5,8H,3,6-7H2,1-2H3
InChIKeyFAGBSBKHLIVYJL-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.22
Rot. Bonds1

About 5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine

5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine (PubChem CID 63218652) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine
PubChem CID63218652
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine
SMILESCC1(C)CCCN1c1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2/c1-11(2)6-3-7-14(11)10-5-4-9(12)8-13-10/h4-5,8H,3,6-7H2,1-2H3
InChIKeyFAGBSBKHLIVYJL-UHFFFAOYSA-N
XLogP3.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine?
The IUPAC name of 5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine (CID 63218652) is 5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine is CC1(C)CCCN1c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine?
The InChIKey is FAGBSBKHLIVYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-11(2)6-3-7-14(11)10-5-4-9(12)8-13-10/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine?
5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine has a molecular weight of 255.16 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 63218652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).