furo[3,2-b]pyridin-2-ylmethyl methanesulfonate

C9H9NO4S — CID 57436173

IUPACfuro[3,2-b]pyridin-2-ylmethyl methanesulfonate
SMILESCS(=O)(=O)OCc1cc2ncccc2o1
InChIInChI=1S/C9H9NO4S/c1-15(11,12)13-6-7-5-8-9(14-7)3-2-4-10-8/h2-5H,6H2,1H3
InChIKeyAJCJFANQQQAUTO-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.30
Rot. Bonds3

About furo[3,2-b]pyridin-2-ylmethyl methanesulfonate

furo[3,2-b]pyridin-2-ylmethyl methanesulfonate (PubChem CID 57436173) has the molecular formula C9H9NO4S and a molecular weight of 227.24 g/mol. Its IUPAC name is furo[3,2-b]pyridin-2-ylmethyl methanesulfonate.

Molecular Properties

Compound Namefuro[3,2-b]pyridin-2-ylmethyl methanesulfonate
PubChem CID57436173
Molecular FormulaC9H9NO4S
Molecular Weight227.24 g/mol
Exact Mass227.03
IUPAC Namefuro[3,2-b]pyridin-2-ylmethyl methanesulfonate
SMILESCS(=O)(=O)OCc1cc2ncccc2o1
InChIInChI=1S/C9H9NO4S/c1-15(11,12)13-6-7-5-8-9(14-7)3-2-4-10-8/h2-5H,6H2,1H3
InChIKeyAJCJFANQQQAUTO-UHFFFAOYSA-N
XLogP1.30
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furo[3,2-b]pyridin-2-ylmethyl methanesulfonate?
The IUPAC name of furo[3,2-b]pyridin-2-ylmethyl methanesulfonate (CID 57436173) is furo[3,2-b]pyridin-2-ylmethyl methanesulfonate.
What is the SMILES notation for furo[3,2-b]pyridin-2-ylmethyl methanesulfonate?
The canonical SMILES for furo[3,2-b]pyridin-2-ylmethyl methanesulfonate is CS(=O)(=O)OCc1cc2ncccc2o1.
What is the InChIKey of furo[3,2-b]pyridin-2-ylmethyl methanesulfonate?
The InChIKey is AJCJFANQQQAUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4S/c1-15(11,12)13-6-7-5-8-9(14-7)3-2-4-10-8/h2-5H,6H2,1H3.
What are the key properties of furo[3,2-b]pyridin-2-ylmethyl methanesulfonate?
furo[3,2-b]pyridin-2-ylmethyl methanesulfonate has a molecular weight of 227.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furo[3,2-b]pyridin-2-ylmethyl methanesulfonate is sourced from PubChem (CID 57436173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).