3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid

C14H12N2O4S — CID 67428669

IUPAC3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid
SMILESCOc1ccc2ncc(-c3sc(C(=O)O)c(O)c3C)n2c1
InChIInChI=1S/C14H12N2O4S/c1-7-11(17)13(14(18)19)21-12(7)9-5-15-10-4-3-8(20-2)6-16(9)10/h3-6,17H,1-2H3,(H,18,19)
InChIKeyPFSKQNUBZYIBBY-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.78
Rot. Bonds3

About 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid

3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid (PubChem CID 67428669) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid
PubChem CID67428669
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid
SMILESCOc1ccc2ncc(-c3sc(C(=O)O)c(O)c3C)n2c1
InChIInChI=1S/C14H12N2O4S/c1-7-11(17)13(14(18)19)21-12(7)9-5-15-10-4-3-8(20-2)6-16(9)10/h3-6,17H,1-2H3,(H,18,19)
InChIKeyPFSKQNUBZYIBBY-UHFFFAOYSA-N
XLogP2.78
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid (CID 67428669) is 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid is COc1ccc2ncc(-c3sc(C(=O)O)c(O)c3C)n2c1.
What is the InChIKey of 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is PFSKQNUBZYIBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-7-11(17)13(14(18)19)21-12(7)9-5-15-10-4-3-8(20-2)6-16(9)10/h3-6,17H,1-2H3,(H,18,19).
What are the key properties of 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid?
3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 304.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 67428669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).