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

C10H14Cl2N2OS — CID 170987713

IUPAC2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride
SMILESCl.O=[S@](Cc1ccc(Cl)nc1)[C@H]1CCNC1
InChIInChI=1S/C10H13ClN2OS.ClH/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;1H/t9-,15+;/m0./s1
InChIKeyDXXBBXVDKXEYDN-GKLCTQFTSA-N
MW281.21 g/mol
LogP1.77
Rot. Bonds3

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

2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride (PubChem CID 170987713) has the molecular formula C10H14Cl2N2OS and a molecular weight of 281.21 g/mol. Its IUPAC name is 2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride
PubChem CID170987713
Molecular FormulaC10H14Cl2N2OS
Molecular Weight281.21 g/mol
Exact Mass280.02
IUPAC Name2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride
SMILESCl.O=[S@](Cc1ccc(Cl)nc1)[C@H]1CCNC1
InChIInChI=1S/C10H13ClN2OS.ClH/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;1H/t9-,15+;/m0./s1
InChIKeyDXXBBXVDKXEYDN-GKLCTQFTSA-N
XLogP1.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride?
The IUPAC name of 2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride (CID 170987713) is 2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride.
What is the SMILES notation for 2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride?
The canonical SMILES for 2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride is Cl.O=[S@](Cc1ccc(Cl)nc1)[C@H]1CCNC1.
What is the InChIKey of 2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride?
The InChIKey is DXXBBXVDKXEYDN-GKLCTQFTSA-N. The full InChI is InChI=1S/C10H13ClN2OS.ClH/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;1H/t9-,15+;/m0./s1.
What are the key properties of 2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride?
2-chloro-5-[[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride has a molecular weight of 281.21 g/mol, XLogP of 1.77, 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)-[(3S)-pyrrolidin-3-yl]sulfinyl]methyl]pyridine;hydrochloride is sourced from PubChem (CID 170987713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).