2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine

C11H15BrN2OS — CID 97178213

IUPAC2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
SMILESO=[S@](C[C@H]1CCCCN1)c1cccc(Br)n1
InChIInChI=1S/C11H15BrN2OS/c12-10-5-3-6-11(14-10)16(15)8-9-4-1-2-7-13-9/h3,5-6,9,13H,1-2,4,7-8H2/t9-,16-/m1/s1
InChIKeyMMLIHXRXBDAPCP-JDNHERCYSA-N
MW303.22 g/mol
LogP2.09
Rot. Bonds3

About 2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine

2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine (PubChem CID 97178213) has the molecular formula C11H15BrN2OS and a molecular weight of 303.22 g/mol. Its IUPAC name is 2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
PubChem CID97178213
Molecular FormulaC11H15BrN2OS
Molecular Weight303.22 g/mol
Exact Mass302.01
IUPAC Name2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
SMILESO=[S@](C[C@H]1CCCCN1)c1cccc(Br)n1
InChIInChI=1S/C11H15BrN2OS/c12-10-5-3-6-11(14-10)16(15)8-9-4-1-2-7-13-9/h3,5-6,9,13H,1-2,4,7-8H2/t9-,16-/m1/s1
InChIKeyMMLIHXRXBDAPCP-JDNHERCYSA-N
XLogP2.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 52.09
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

2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine
CID 71636432
2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine;hydrochloride
CID 71636431
2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
CID 97166204
2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646077
2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline
CID 97166212
2-chloro-4-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyrimidine
CID 97163785
2-bromo-6-(pyrrolidin-2-ylmethylsulfonyl)pyridine;hydrochloride
CID 71636411
2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
CID 97178233
2-[(S)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]-1H-benzimidazole
CID 97166285
2-[(S)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]-1,3-benzothiazole
CID 97166293
2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile
CID 71646106
2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine
CID 97166240

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine?
The IUPAC name of 2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine (CID 97178213) is 2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine.
What is the SMILES notation for 2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine?
The canonical SMILES for 2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine is O=[S@](C[C@H]1CCCCN1)c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine?
The InChIKey is MMLIHXRXBDAPCP-JDNHERCYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c12-10-5-3-6-11(14-10)16(15)8-9-4-1-2-7-13-9/h3,5-6,9,13H,1-2,4,7-8H2/t9-,16-/m1/s1.
What are the key properties of 2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine?
2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine has a molecular weight of 303.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine is sourced from PubChem (CID 97178213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).