3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine

C11H15BrN2S — CID 130757500

IUPAC3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine
SMILESCSC1CCN(Cc2ncccc2Br)C1
InChIInChI=1S/C11H15BrN2S/c1-15-9-4-6-14(7-9)8-11-10(12)3-2-5-13-11/h2-3,5,9H,4,6-8H2,1H3
InChIKeyUVCFQBRLCCKCHC-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.78
Rot. Bonds3

About 3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine

3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine (PubChem CID 130757500) has the molecular formula C11H15BrN2S and a molecular weight of 287.23 g/mol. Its IUPAC name is 3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine
PubChem CID130757500
Molecular FormulaC11H15BrN2S
Molecular Weight287.23 g/mol
Exact Mass286.01
IUPAC Name3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine
SMILESCSC1CCN(Cc2ncccc2Br)C1
InChIInChI=1S/C11H15BrN2S/c1-15-9-4-6-14(7-9)8-11-10(12)3-2-5-13-11/h2-3,5,9H,4,6-8H2,1H3
InChIKeyUVCFQBRLCCKCHC-UHFFFAOYSA-N
XLogP2.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(3-bromo-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 130576098
3-bromo-2-[(4-chloropiperidin-1-yl)methyl]pyridine
CID 130576197
1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130979733
2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine
CID 104739860
3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine
CID 83919940
1-[(3-bromo-2-pyridinyl)methyl]-5-methylpyrrolidin-2-one
CID 130598530
2-[(3-tert-butylpyrrolidin-1-yl)methyl]pyridin-3-amine
CID 104740262
3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 112651020
2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine
CID 130684002
1-[1-[(3-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 82740318
[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine
CID 114199079
2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 136552323

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine?
The IUPAC name of 3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine (CID 130757500) is 3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine.
What is the SMILES notation for 3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine?
The canonical SMILES for 3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine is CSC1CCN(Cc2ncccc2Br)C1.
What is the InChIKey of 3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine?
The InChIKey is UVCFQBRLCCKCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2S/c1-15-9-4-6-14(7-9)8-11-10(12)3-2-5-13-11/h2-3,5,9H,4,6-8H2,1H3.
What are the key properties of 3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine?
3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine has a molecular weight of 287.23 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(3-methylsulfanylpyrrolidin-1-yl)methyl]pyridine is sourced from PubChem (CID 130757500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).