3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid

C12H7N3O3S — CID 82356609

IUPAC3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=Nc1c(-c2cccs2)nc2cc(C(=O)O)ccn12
InChIInChI=1S/C12H7N3O3S/c16-12(17)7-3-4-15-9(6-7)13-10(11(15)14-18)8-2-1-5-19-8/h1-6H,(H,16,17)
InChIKeyVSYFHCDXTBNMDR-UHFFFAOYSA-N
MW273.27 g/mol
LogP3.16
Rot. Bonds3

About 3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid

3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 82356609) has the molecular formula C12H7N3O3S and a molecular weight of 273.27 g/mol. Its IUPAC name is 3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID82356609
Molecular FormulaC12H7N3O3S
Molecular Weight273.27 g/mol
Exact Mass273.02
IUPAC Name3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=Nc1c(-c2cccs2)nc2cc(C(=O)O)ccn12
InChIInChI=1S/C12H7N3O3S/c16-12(17)7-3-4-15-9(6-7)13-10(11(15)14-18)8-2-1-5-19-8/h1-6H,(H,16,17)
InChIKeyVSYFHCDXTBNMDR-UHFFFAOYSA-N
XLogP3.16
TPSA84.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridin-8-yl)methanol
CID 82356574
7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744734
6-hydroxy-5-[(E)-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)iminomethyl]-1H-pyrimidine-2,4-dione
CID 135445115
7-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 82356194
1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117252076
2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid
CID 21083646
3-thiophen-2-ylpyrazine-2-carboxylic acid
CID 82470252
ethyl 5-nitroso-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 102324722
2-thiophen-2-ylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 54973406
7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 44726067
2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 82290615
7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine
CID 82064405

Frequently Asked Questions

What is the IUPAC name of 3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid (CID 82356609) is 3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid is O=Nc1c(-c2cccs2)nc2cc(C(=O)O)ccn12.
What is the InChIKey of 3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is VSYFHCDXTBNMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O3S/c16-12(17)7-3-4-15-9(6-7)13-10(11(15)14-18)8-2-1-5-19-8/h1-6H,(H,16,17).
What are the key properties of 3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid?
3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 273.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroso-2-thiophen-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 82356609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).