2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C12H9N3O3S — CID 82821331

IUPAC2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCOc1ccsc1-c1nc2ncc(C(=O)O)cc2[nH]1
InChIInChI=1S/C12H9N3O3S/c1-18-8-2-3-19-9(8)11-14-7-4-6(12(16)17)5-13-10(7)15-11/h2-5H,1H3,(H,16,17)(H,13,14,15)
InChIKeyTYSGRKPFJNABER-UHFFFAOYSA-N
MW275.29 g/mol
LogP2.39
Rot. Bonds3

About 2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82821331) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82821331
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC Name2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCOc1ccsc1-c1nc2ncc(C(=O)O)cc2[nH]1
InChIInChI=1S/C12H9N3O3S/c1-18-8-2-3-19-9(8)11-14-7-4-6(12(16)17)5-13-10(7)15-11/h2-5H,1H3,(H,16,17)(H,13,14,15)
InChIKeyTYSGRKPFJNABER-UHFFFAOYSA-N
XLogP2.39
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82821331) is 2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is COc1ccsc1-c1nc2ncc(C(=O)O)cc2[nH]1.
What is the InChIKey of 2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is TYSGRKPFJNABER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S/c1-18-8-2-3-19-9(8)11-14-7-4-6(12(16)17)5-13-10(7)15-11/h2-5H,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82821331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).