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

C11H10BrN3S — CID 155301227

IUPAC4-bromo-6-(2-methylsulfanylethyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCSCCc1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C11H10BrN3S/c1-16-3-2-8-4-10(12)11-9(5-13)6-14-15(11)7-8/h4,6-7H,2-3H2,1H3
InChIKeyUUVOWDNJCUUCEZ-UHFFFAOYSA-N
MW296.19 g/mol
LogP2.87
Rot. Bonds3

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

4-bromo-6-(2-methylsulfanylethyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155301227) has the molecular formula C11H10BrN3S and a molecular weight of 296.19 g/mol. Its IUPAC name is 4-bromo-6-(2-methylsulfanylethyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-(2-methylsulfanylethyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155301227
Molecular FormulaC11H10BrN3S
Molecular Weight296.19 g/mol
Exact Mass294.98
IUPAC Name4-bromo-6-(2-methylsulfanylethyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCSCCc1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C11H10BrN3S/c1-16-3-2-8-4-10(12)11-9(5-13)6-14-15(11)7-8/h4,6-7H,2-3H2,1H3
InChIKeyUUVOWDNJCUUCEZ-UHFFFAOYSA-N
XLogP2.87
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(2-methylsulfanylethyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-(2-methylsulfanylethyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155301227) is 4-bromo-6-(2-methylsulfanylethyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-(2-methylsulfanylethyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-(2-methylsulfanylethyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CSCCc1cc(Br)c2c(C#N)cnn2c1.
What is the InChIKey of 4-bromo-6-(2-methylsulfanylethyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is UUVOWDNJCUUCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3S/c1-16-3-2-8-4-10(12)11-9(5-13)6-14-15(11)7-8/h4,6-7H,2-3H2,1H3.
What are the key properties of 4-bromo-6-(2-methylsulfanylethyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-6-(2-methylsulfanylethyl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 296.19 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(2-methylsulfanylethyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155301227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).