5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine

C16H17BrN2 — CID 112697443

IUPAC5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine
SMILESCc1cc(Br)cnc1N1CCCC1c1ccccc1
InChIInChI=1S/C16H17BrN2/c1-12-10-14(17)11-18-16(12)19-9-5-8-15(19)13-6-3-2-4-7-13/h2-4,6-7,10-11,15H,5,8-9H2,1H3
InChIKeyDBQXWCDRVVQRRP-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.49
Rot. Bonds2

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

5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine (PubChem CID 112697443) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine
PubChem CID112697443
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine
SMILESCc1cc(Br)cnc1N1CCCC1c1ccccc1
InChIInChI=1S/C16H17BrN2/c1-12-10-14(17)11-18-16(12)19-9-5-8-15(19)13-6-3-2-4-7-13/h2-4,6-7,10-11,15H,5,8-9H2,1H3
InChIKeyDBQXWCDRVVQRRP-UHFFFAOYSA-N
XLogP4.49
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine?
The IUPAC name of 5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine (CID 112697443) is 5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine is Cc1cc(Br)cnc1N1CCCC1c1ccccc1.
What is the InChIKey of 5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine?
The InChIKey is DBQXWCDRVVQRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-12-10-14(17)11-18-16(12)19-9-5-8-15(19)13-6-3-2-4-7-13/h2-4,6-7,10-11,15H,5,8-9H2,1H3.
What are the key properties of 5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine?
5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine has a molecular weight of 317.23 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-(2-phenylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 112697443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).