2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid

C13H9N3O2S — CID 102625220

IUPAC2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Sc2cccc3nccn23)c1
InChIInChI=1S/C13H9N3O2S/c17-13(18)9-4-5-15-11(8-9)19-12-3-1-2-10-14-6-7-16(10)12/h1-8H,(H,17,18)
InChIKeyOQAVMSFUTGXCFP-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.58
Rot. Bonds3

About 2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid

2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid (PubChem CID 102625220) has the molecular formula C13H9N3O2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid
PubChem CID102625220
Molecular FormulaC13H9N3O2S
Molecular Weight271.30 g/mol
Exact Mass271.04
IUPAC Name2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Sc2cccc3nccn23)c1
InChIInChI=1S/C13H9N3O2S/c17-13(18)9-4-5-15-11(8-9)19-12-3-1-2-10-14-6-7-16(10)12/h1-8H,(H,17,18)
InChIKeyOQAVMSFUTGXCFP-UHFFFAOYSA-N
XLogP2.58
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid
CID 102625233
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-carboxylic acid
CID 61301448
4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid
CID 107957590
2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-4-carboxylic acid
CID 64588955
2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid
CID 106972467
2-[2-(trifluoromethyl)phenyl]sulfanylpyridine-4-carboxylic acid
CID 62315096
2-(trifluoromethylsulfanyl)pyridine-4-carboxylic acid
CID 61301083
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
CID 60726288
2-[4-(trifluoromethyl)phenyl]sulfanylpyridine-4-carboxylic acid
CID 62648248
2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid
CID 61299738
2-(3-chloro-2-cyanophenyl)sulfanylpyridine-4-carboxylic acid
CID 55078992
2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid
CID 107779261

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid?
The IUPAC name of 2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid (CID 102625220) is 2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid is O=C(O)c1ccnc(Sc2cccc3nccn23)c1.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid?
The InChIKey is OQAVMSFUTGXCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2S/c17-13(18)9-4-5-15-11(8-9)19-12-3-1-2-10-14-6-7-16(10)12/h1-8H,(H,17,18).
What are the key properties of 2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid?
2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 102625220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).