2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride

C10H12ClN3OS — CID 170987698

IUPAC2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1cccnc1[S@@](=O)[C@@H]1CCNC1
InChIInChI=1S/C10H11N3OS.ClH/c11-6-8-2-1-4-13-10(8)15(14)9-3-5-12-7-9;/h1-2,4,9,12H,3,5,7H2;1H/t9-,15+;/m1./s1
InChIKeyMVWIPIKYANDPAQ-HPPVRDKUSA-N
MW257.75 g/mol
LogP0.84
Rot. Bonds2

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

2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride (PubChem CID 170987698) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is 2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride
PubChem CID170987698
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1cccnc1[S@@](=O)[C@@H]1CCNC1
InChIInChI=1S/C10H11N3OS.ClH/c11-6-8-2-1-4-13-10(8)15(14)9-3-5-12-7-9;/h1-2,4,9,12H,3,5,7H2;1H/t9-,15+;/m1./s1
InChIKeyMVWIPIKYANDPAQ-HPPVRDKUSA-N
XLogP0.84
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride (CID 170987698) is 2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride is Cl.N#Cc1cccnc1[S@@](=O)[C@@H]1CCNC1.
What is the InChIKey of 2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride?
The InChIKey is MVWIPIKYANDPAQ-HPPVRDKUSA-N. The full InChI is InChI=1S/C10H11N3OS.ClH/c11-6-8-2-1-4-13-10(8)15(14)9-3-5-12-7-9;/h1-2,4,9,12H,3,5,7H2;1H/t9-,15+;/m1./s1.
What are the key properties of 2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride?
2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride has a molecular weight of 257.75 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 170987698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).