2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine

C11H15ClN2OS — CID 97163604

IUPAC2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine
SMILESO=[S@](Cc1ccc(Cl)nc1)[C@@H]1CCCNC1
InChIInChI=1S/C11H15ClN2OS/c12-11-4-3-9(6-14-11)8-16(15)10-2-1-5-13-7-10/h3-4,6,10,13H,1-2,5,7-8H2/t10-,16-/m1/s1
InChIKeyFMIKFAMYXREASV-QLJPJBMISA-N
MW258.77 g/mol
LogP1.74
Rot. Bonds3

About 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine

2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine (PubChem CID 97163604) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine
PubChem CID97163604
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine
SMILESO=[S@](Cc1ccc(Cl)nc1)[C@@H]1CCCNC1
InChIInChI=1S/C11H15ClN2OS/c12-11-4-3-9(6-14-11)8-16(15)10-2-1-5-13-7-10/h3-4,6,10,13H,1-2,5,7-8H2/t10-,16-/m1/s1
InChIKeyFMIKFAMYXREASV-QLJPJBMISA-N
XLogP1.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 51.74
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-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine
CID 97163603
2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride
CID 170987713
2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
CID 97163894
2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine
CID 71639929
2-chloro-5-[[(S)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine
CID 97163622
2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine
CID 71639891
(3S)-N-[(6-chloro-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71639863
2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71639890
2-chloro-5-[[(3S)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71639892
5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
CID 97166187
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 97163567
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3R)-piperidin-3-yl]methanamine
CID 97163566

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine?
The IUPAC name of 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine (CID 97163604) is 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine?
The canonical SMILES for 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine is O=[S@](Cc1ccc(Cl)nc1)[C@@H]1CCCNC1.
What is the InChIKey of 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine?
The InChIKey is FMIKFAMYXREASV-QLJPJBMISA-N. The full InChI is InChI=1S/C11H15ClN2OS/c12-11-4-3-9(6-14-11)8-16(15)10-2-1-5-13-7-10/h3-4,6,10,13H,1-2,5,7-8H2/t10-,16-/m1/s1.
What are the key properties of 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine?
2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine has a molecular weight of 258.77 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine is sourced from PubChem (CID 97163604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).