sodium 8-chloroimidazo[1,2-a]pyridine-7-thiolate

C7H4ClN2NaS — CID 165387955

IUPACsodium 8-chloroimidazo[1,2-a]pyridine-7-thiolate
SMILES[Na+].[S-]c1ccn2ccnc2c1Cl
InChIInChI=1S/C7H5ClN2S.Na/c8-6-5(11)1-3-10-4-2-9-7(6)10;/h1-4,11H;/q;+1/p-1
InChIKeyRKZYIVWFMFZRKK-UHFFFAOYSA-M
MW206.63 g/mol
LogP-1.10
Rot. Bonds

About sodium 8-chloroimidazo[1,2-a]pyridine-7-thiolate

sodium 8-chloroimidazo[1,2-a]pyridine-7-thiolate (PubChem CID 165387955) has the molecular formula C7H4ClN2NaS and a molecular weight of 206.63 g/mol. Its IUPAC name is sodium 8-chloroimidazo[1,2-a]pyridine-7-thiolate.

Molecular Properties

Compound Namesodium 8-chloroimidazo[1,2-a]pyridine-7-thiolate
PubChem CID165387955
Molecular FormulaC7H4ClN2NaS
Molecular Weight206.63 g/mol
Exact Mass205.97
IUPAC Namesodium 8-chloroimidazo[1,2-a]pyridine-7-thiolate
SMILES[Na+].[S-]c1ccn2ccnc2c1Cl
InChIInChI=1S/C7H5ClN2S.Na/c8-6-5(11)1-3-10-4-2-9-7(6)10;/h1-4,11H;/q;+1/p-1
InChIKeyRKZYIVWFMFZRKK-UHFFFAOYSA-M
XLogP-1.10
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 8-chloroimidazo[1,2-a]pyridine-7-thiolate?
The IUPAC name of sodium 8-chloroimidazo[1,2-a]pyridine-7-thiolate (CID 165387955) is sodium 8-chloroimidazo[1,2-a]pyridine-7-thiolate.
What is the SMILES notation for sodium 8-chloroimidazo[1,2-a]pyridine-7-thiolate?
The canonical SMILES for sodium 8-chloroimidazo[1,2-a]pyridine-7-thiolate is [Na+].[S-]c1ccn2ccnc2c1Cl.
What is the InChIKey of sodium 8-chloroimidazo[1,2-a]pyridine-7-thiolate?
The InChIKey is RKZYIVWFMFZRKK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5ClN2S.Na/c8-6-5(11)1-3-10-4-2-9-7(6)10;/h1-4,11H;/q;+1/p-1.
What are the key properties of sodium 8-chloroimidazo[1,2-a]pyridine-7-thiolate?
sodium 8-chloroimidazo[1,2-a]pyridine-7-thiolate has a molecular weight of 206.63 g/mol, XLogP of -1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 8-chloroimidazo[1,2-a]pyridine-7-thiolate is sourced from PubChem (CID 165387955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).