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

C11H7N3O2S — CID 82820668

IUPAC2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(-c3ccsc3)[nH]c2c1
InChIInChI=1S/C11H7N3O2S/c15-11(16)7-3-8-10(12-4-7)14-9(13-8)6-1-2-17-5-6/h1-5H,(H,15,16)(H,12,13,14)
InChIKeyMNEHOVFWSCBBLQ-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.38
Rot. Bonds2

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

2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82820668) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82820668
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(-c3ccsc3)[nH]c2c1
InChIInChI=1S/C11H7N3O2S/c15-11(16)7-3-8-10(12-4-7)14-9(13-8)6-1-2-17-5-6/h1-5H,(H,15,16)(H,12,13,14)
InChIKeyMNEHOVFWSCBBLQ-UHFFFAOYSA-N
XLogP2.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82820668) is 2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2nc(-c3ccsc3)[nH]c2c1.
What is the InChIKey of 2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is MNEHOVFWSCBBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c15-11(16)7-3-8-10(12-4-7)14-9(13-8)6-1-2-17-5-6/h1-5H,(H,15,16)(H,12,13,14).
What are the key properties of 2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 245.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82820668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).