3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine

C15H16BrN3O2S — CID 166308747

IUPAC3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine
SMILESO=S(=O)(Cc1ccccn1)N1CCCC1c1cncc(Br)c1
InChIInChI=1S/C15H16BrN3O2S/c16-13-8-12(9-17-10-13)15-5-3-7-19(15)22(20,21)11-14-4-1-2-6-18-14/h1-2,4,6,8-10,15H,3,5,7,11H2
InChIKeyMBEBZTPCSRIZQQ-UHFFFAOYSA-N
MW382.28 g/mol
LogP2.91
Rot. Bonds4

About 3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine

3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine (PubChem CID 166308747) has the molecular formula C15H16BrN3O2S and a molecular weight of 382.28 g/mol. Its IUPAC name is 3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine
PubChem CID166308747
Molecular FormulaC15H16BrN3O2S
Molecular Weight382.28 g/mol
Exact Mass381.01
IUPAC Name3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine
SMILESO=S(=O)(Cc1ccccn1)N1CCCC1c1cncc(Br)c1
InChIInChI=1S/C15H16BrN3O2S/c16-13-8-12(9-17-10-13)15-5-3-7-19(15)22(20,21)11-14-4-1-2-6-18-14/h1-2,4,6,8-10,15H,3,5,7,11H2
InChIKeyMBEBZTPCSRIZQQ-UHFFFAOYSA-N
XLogP2.91
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine
CID 42922078
2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 136569350
2-(3-bromophenyl)-1-(3-chloropropylsulfonyl)pyrrolidine
CID 54877163
1-(pyridin-2-ylmethylsulfonyl)piperidin-3-amine
CID 71644242
2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine
CID 110096230
2-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine
CID 110871726
4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 60727492
(1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine
CID 125142267
N-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 166256385
3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 2805684
N-[[4-[(2S)-1-ethylsulfonylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125013312
3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 167934366

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine?
The IUPAC name of 3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine (CID 166308747) is 3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine is O=S(=O)(Cc1ccccn1)N1CCCC1c1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine?
The InChIKey is MBEBZTPCSRIZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2S/c16-13-8-12(9-17-10-13)15-5-3-7-19(15)22(20,21)11-14-4-1-2-6-18-14/h1-2,4,6,8-10,15H,3,5,7,11H2.
What are the key properties of 3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine?
3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine has a molecular weight of 382.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 166308747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).