4-bromo-6-(2-methylsulfinylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C11H10BrN3O2S — CID 164847417

IUPAC4-bromo-6-(2-methylsulfinylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCS(=O)CCOc1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C11H10BrN3O2S/c1-18(16)3-2-17-9-4-10(12)11-8(5-13)6-14-15(11)7-9/h4,6-7H,2-3H2,1H3
InChIKeyISYJBOUPJUEQJC-UHFFFAOYSA-N
MW328.19 g/mol
LogP1.73
Rot. Bonds4

About 4-bromo-6-(2-methylsulfinylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-bromo-6-(2-methylsulfinylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164847417) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is 4-bromo-6-(2-methylsulfinylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-(2-methylsulfinylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164847417
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC Name4-bromo-6-(2-methylsulfinylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCS(=O)CCOc1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C11H10BrN3O2S/c1-18(16)3-2-17-9-4-10(12)11-8(5-13)6-14-15(11)7-9/h4,6-7H,2-3H2,1H3
InChIKeyISYJBOUPJUEQJC-UHFFFAOYSA-N
XLogP1.73
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(2-methylsulfinylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-(2-methylsulfinylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164847417) is 4-bromo-6-(2-methylsulfinylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-(2-methylsulfinylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-(2-methylsulfinylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CS(=O)CCOc1cc(Br)c2c(C#N)cnn2c1.
What is the InChIKey of 4-bromo-6-(2-methylsulfinylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is ISYJBOUPJUEQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c1-18(16)3-2-17-9-4-10(12)11-8(5-13)6-14-15(11)7-9/h4,6-7H,2-3H2,1H3.
What are the key properties of 4-bromo-6-(2-methylsulfinylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-6-(2-methylsulfinylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 328.19 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(2-methylsulfinylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164847417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).