3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine

C15H16BrN3 — CID 105367698

IUPAC3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine
SMILESCc1cnc(N2CCCC2c2cccnc2)c(Br)c1
InChIInChI=1S/C15H16BrN3/c1-11-8-13(16)15(18-9-11)19-7-3-5-14(19)12-4-2-6-17-10-12/h2,4,6,8-10,14H,3,5,7H2,1H3
InChIKeyLTJNUKRBWJXJDL-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.89
Rot. Bonds2

About 3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine

3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine (PubChem CID 105367698) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is 3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine
PubChem CID105367698
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine
SMILESCc1cnc(N2CCCC2c2cccnc2)c(Br)c1
InChIInChI=1S/C15H16BrN3/c1-11-8-13(16)15(18-9-11)19-7-3-5-14(19)12-4-2-6-17-10-12/h2,4,6,8-10,14H,3,5,7H2,1H3
InChIKeyLTJNUKRBWJXJDL-UHFFFAOYSA-N
XLogP3.89
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine?
The IUPAC name of 3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine (CID 105367698) is 3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine is Cc1cnc(N2CCCC2c2cccnc2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine?
The InChIKey is LTJNUKRBWJXJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c1-11-8-13(16)15(18-9-11)19-7-3-5-14(19)12-4-2-6-17-10-12/h2,4,6,8-10,14H,3,5,7H2,1H3.
What are the key properties of 3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine?
3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine has a molecular weight of 318.22 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 105367698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).