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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Related Compounds

8-chloro-7-(5-chloropyrazin-2-yl)sulfanylimidazo[1,2-a]pyridine
CID 165388008
3,6,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,7,9,11-hexaene
CID 130047223
7-chloroimidazo[2,1-a]isoquinoline
CID 58517958
imidazo[1,2-a]pyridin-8-amine;hydrochloride
CID 118705200
10-phenyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine
CID 91607939
8-(4-fluorophenyl)imidazo[1,2-a]pyrazine
CID 151841576
8-bromo-7-chloroimidazo[1,2-c]pyrimidine
CID 172622100
sodium 3-chloro-2-(hydroxymethyl)pyridine-4-thiolate
CID 146485561
7-chloro-8-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine
CID 144912507
8-bromo-6-chloroimidazo[1,2-a]pyrazine
CID 12841570
imidazo[1,2-a]pyridin-8-ylmethanamine
CID 18766910
CID 58517988
CID 58517988

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).