2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine

C10H13ClN2OS — CID 97163603

IUPAC2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine
SMILESO=[S@@](Cc1ccc(Cl)nc1)[C@H]1CCNC1
InChIInChI=1S/C10H13ClN2OS/c11-10-2-1-8(5-13-10)7-15(14)9-3-4-12-6-9/h1-2,5,9,12H,3-4,6-7H2/t9-,15-/m0/s1
InChIKeyYFAXUISGTPIHMD-VFZGTOFNSA-N
MW244.75 g/mol
LogP1.35
Rot. Bonds3

About 2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine

2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine (PubChem CID 97163603) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine
PubChem CID97163603
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine
SMILESO=[S@@](Cc1ccc(Cl)nc1)[C@H]1CCNC1
InChIInChI=1S/C10H13ClN2OS/c11-10-2-1-8(5-13-10)7-15(14)9-3-4-12-6-9/h1-2,5,9,12H,3-4,6-7H2/t9-,15-/m0/s1
InChIKeyYFAXUISGTPIHMD-VFZGTOFNSA-N
XLogP1.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.35
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-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride
CID 170987713
2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]sulfinyl]methyl]pyridine
CID 97163604
2-chloro-5-[[(S)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine
CID 97163622
2-chloro-5-(piperidin-4-ylsulfonylmethyl)pyridine
CID 71639933
2-chloro-5-[[(S)-[(3S)-piperidin-3-yl]sulfinyl]methyl]-1,3-thiazole
CID 97163894
2-chloro-5-(piperidin-3-ylsulfonylmethyl)pyridine
CID 71639929
3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 169108974
3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine
CID 97163648
tert-butyl (3R)-3-[(6-chloro-3-pyridinyl)methylsulfinyl]pyrrolidine-1-carboxylate
CID 71629616
5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine
CID 97163703
(3S)-N-[(6-chloro-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71639863
2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine
CID 71639891

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine?
The IUPAC name of 2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine (CID 97163603) is 2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine?
The canonical SMILES for 2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine is O=[S@@](Cc1ccc(Cl)nc1)[C@H]1CCNC1.
What is the InChIKey of 2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine?
The InChIKey is YFAXUISGTPIHMD-VFZGTOFNSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c11-10-2-1-8(5-13-10)7-15(14)9-3-4-12-6-9/h1-2,5,9,12H,3-4,6-7H2/t9-,15-/m0/s1.
What are the key properties of 2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine?
2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine has a molecular weight of 244.75 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine is sourced from PubChem (CID 97163603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).