2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid

C8H7N3O2S — CID 84676691

IUPAC2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCSc1nc2nc(C(=O)O)ccc2[nH]1
InChIInChI=1S/C8H7N3O2S/c1-14-8-10-4-2-3-5(7(12)13)9-6(4)11-8/h2-3H,1H3,(H,12,13)(H,9,10,11)
InChIKeyQZMBSECQMRAXSM-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.38
Rot. Bonds2

About 2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid

2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 84676691) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
PubChem CID84676691
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCSc1nc2nc(C(=O)O)ccc2[nH]1
InChIInChI=1S/C8H7N3O2S/c1-14-8-10-4-2-3-5(7(12)13)9-6(4)11-8/h2-3H,1H3,(H,12,13)(H,9,10,11)
InChIKeyQZMBSECQMRAXSM-UHFFFAOYSA-N
XLogP1.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid (CID 84676691) is 2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid is CSc1nc2nc(C(=O)O)ccc2[nH]1.
What is the InChIKey of 2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is QZMBSECQMRAXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-14-8-10-4-2-3-5(7(12)13)9-6(4)11-8/h2-3H,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 84676691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).