imidazo[4,5-b]pyridin-1-yl methanesulfonate

C7H7N3O3S — CID 91548213

IUPACimidazo[4,5-b]pyridin-1-yl methanesulfonate
SMILESCS(=O)(=O)On1cnc2ncccc21
InChIInChI=1S/C7H7N3O3S/c1-14(11,12)13-10-5-9-7-6(10)3-2-4-8-7/h2-5H,1H3
InChIKeyFTNQDBDYGPJZBF-UHFFFAOYSA-N
MW213.22 g/mol
LogP-0.18
Rot. Bonds2

About imidazo[4,5-b]pyridin-1-yl methanesulfonate

imidazo[4,5-b]pyridin-1-yl methanesulfonate (PubChem CID 91548213) has the molecular formula C7H7N3O3S and a molecular weight of 213.22 g/mol. Its IUPAC name is imidazo[4,5-b]pyridin-1-yl methanesulfonate.

Molecular Properties

Compound Nameimidazo[4,5-b]pyridin-1-yl methanesulfonate
PubChem CID91548213
Molecular FormulaC7H7N3O3S
Molecular Weight213.22 g/mol
Exact Mass213.02
IUPAC Nameimidazo[4,5-b]pyridin-1-yl methanesulfonate
SMILESCS(=O)(=O)On1cnc2ncccc21
InChIInChI=1S/C7H7N3O3S/c1-14(11,12)13-10-5-9-7-6(10)3-2-4-8-7/h2-5H,1H3
InChIKeyFTNQDBDYGPJZBF-UHFFFAOYSA-N
XLogP-0.18
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of imidazo[4,5-b]pyridin-1-yl methanesulfonate?
The IUPAC name of imidazo[4,5-b]pyridin-1-yl methanesulfonate (CID 91548213) is imidazo[4,5-b]pyridin-1-yl methanesulfonate.
What is the SMILES notation for imidazo[4,5-b]pyridin-1-yl methanesulfonate?
The canonical SMILES for imidazo[4,5-b]pyridin-1-yl methanesulfonate is CS(=O)(=O)On1cnc2ncccc21.
What is the InChIKey of imidazo[4,5-b]pyridin-1-yl methanesulfonate?
The InChIKey is FTNQDBDYGPJZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3S/c1-14(11,12)13-10-5-9-7-6(10)3-2-4-8-7/h2-5H,1H3.
What are the key properties of imidazo[4,5-b]pyridin-1-yl methanesulfonate?
imidazo[4,5-b]pyridin-1-yl methanesulfonate has a molecular weight of 213.22 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[4,5-b]pyridin-1-yl methanesulfonate is sourced from PubChem (CID 91548213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).