sodium 3-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-4-thiolate

C10H12ClN2NaOS — CID 155164258

IUPACsodium 3-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-4-thiolate
SMILESOC1CCN(c2nccc([S-])c2Cl)CC1.[Na+]
InChIInChI=1S/C10H13ClN2OS.Na/c11-9-8(15)1-4-12-10(9)13-5-2-7(14)3-6-13;/h1,4,7,14H,2-3,5-6H2,(H,12,15);/q;+1/p-1
InChIKeyKSRKEYNNSKHXKY-UHFFFAOYSA-M
MW266.73 g/mol
LogP-1.39
Rot. Bonds1

About sodium 3-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-4-thiolate

sodium 3-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-4-thiolate (PubChem CID 155164258) has the molecular formula C10H12ClN2NaOS and a molecular weight of 266.73 g/mol. Its IUPAC name is sodium 3-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-4-thiolate.

Molecular Properties

Compound Namesodium 3-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-4-thiolate
PubChem CID155164258
Molecular FormulaC10H12ClN2NaOS
Molecular Weight266.73 g/mol
Exact Mass266.03
IUPAC Namesodium 3-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-4-thiolate
SMILESOC1CCN(c2nccc([S-])c2Cl)CC1.[Na+]
InChIInChI=1S/C10H13ClN2OS.Na/c11-9-8(15)1-4-12-10(9)13-5-2-7(14)3-6-13;/h1,4,7,14H,2-3,5-6H2,(H,12,15);/q;+1/p-1
InChIKeyKSRKEYNNSKHXKY-UHFFFAOYSA-M
XLogP-1.39
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

sodium 3-chloro-2-[3-(methoxymethyl)azetidin-1-yl]pyridine-4-thiolate
CID 168832080
1-[3-(fluoroamino)-2-pyridinyl]piperidin-4-ol
CID 89185599
2-[(3S)-3-hydroxypyrrolidin-1-yl]pyridin-3-ol
CID 71649435
1-(5-methoxyisoquinolin-1-yl)piperidin-4-ol
CID 106541346
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol
CID 80711574
1-(3,5,6-trichloro-2-pyridinyl)piperidin-4-ol
CID 102750128
1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol
CID 107055177
1-(7-chloroquinazolin-4-yl)piperidin-4-ol
CID 17488821
1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol
CID 63735099
1-(2-bromo-4-pyridinyl)piperidin-4-ol
CID 130113709
3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile
CID 107057012
[1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 166915934

Frequently Asked Questions

What is the IUPAC name of sodium 3-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-4-thiolate?
The IUPAC name of sodium 3-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-4-thiolate (CID 155164258) is sodium 3-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-4-thiolate.
What is the SMILES notation for sodium 3-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-4-thiolate?
The canonical SMILES for sodium 3-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-4-thiolate is OC1CCN(c2nccc([S-])c2Cl)CC1.[Na+].
What is the InChIKey of sodium 3-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-4-thiolate?
The InChIKey is KSRKEYNNSKHXKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13ClN2OS.Na/c11-9-8(15)1-4-12-10(9)13-5-2-7(14)3-6-13;/h1,4,7,14H,2-3,5-6H2,(H,12,15);/q;+1/p-1.
What are the key properties of sodium 3-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-4-thiolate?
sodium 3-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-4-thiolate has a molecular weight of 266.73 g/mol, XLogP of -1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-chloro-2-(4-hydroxypiperidin-1-yl)pyridine-4-thiolate is sourced from PubChem (CID 155164258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).