2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine

C10H13BrN2S — CID 97178233

IUPAC2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
SMILESBrc1cccc(SC[C@H]2CCCN2)n1
InChIInChI=1S/C10H13BrN2S/c11-9-4-1-5-10(13-9)14-7-8-3-2-6-12-8/h1,4-5,8,12H,2-3,6-7H2/t8-/m1/s1
InChIKeyZJSRCRZBYAIEOH-MRVPVSSYSA-N
MW273.20 g/mol
LogP2.69
Rot. Bonds3

About 2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine

2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine (PubChem CID 97178233) has the molecular formula C10H13BrN2S and a molecular weight of 273.20 g/mol. Its IUPAC name is 2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
PubChem CID97178233
Molecular FormulaC10H13BrN2S
Molecular Weight273.20 g/mol
Exact Mass272.00
IUPAC Name2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
SMILESBrc1cccc(SC[C@H]2CCCN2)n1
InChIInChI=1S/C10H13BrN2S/c11-9-4-1-5-10(13-9)14-7-8-3-2-6-12-8/h1,4-5,8,12H,2-3,6-7H2/t8-/m1/s1
InChIKeyZJSRCRZBYAIEOH-MRVPVSSYSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 102820373
2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride
CID 71636411
2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine
CID 71636432
5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine
CID 71638847
2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride
CID 71636431
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile
CID 97165172
4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97164036
2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
CID 97178213
3-bromo-4-(pyrrolidin-2-ylmethylsulfanyl)aniline
CID 82840688
3-bromo-4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]aniline
CID 102820462
2-bromo-6-cyclopentylsulfanylpyridine
CID 63963685
5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
CID 97177883

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine?
The IUPAC name of 2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine (CID 97178233) is 2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine.
What is the SMILES notation for 2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine?
The canonical SMILES for 2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine is Brc1cccc(SC[C@H]2CCCN2)n1.
What is the InChIKey of 2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine?
The InChIKey is ZJSRCRZBYAIEOH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13BrN2S/c11-9-4-1-5-10(13-9)14-7-8-3-2-6-12-8/h1,4-5,8,12H,2-3,6-7H2/t8-/m1/s1.
What are the key properties of 2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine?
2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine has a molecular weight of 273.20 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine is sourced from PubChem (CID 97178233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).