4-bromo-6-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile

C10H8BrN3S — CID 155296353

IUPAC4-bromo-6-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCSc1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C10H8BrN3S/c1-2-15-8-3-9(11)10-7(4-12)5-13-14(10)6-8/h3,5-6H,2H2,1H3
InChIKeyBMHSLSJTHHNKER-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.08
Rot. Bonds2

About 4-bromo-6-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile

4-bromo-6-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155296353) has the molecular formula C10H8BrN3S and a molecular weight of 282.17 g/mol. Its IUPAC name is 4-bromo-6-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155296353
Molecular FormulaC10H8BrN3S
Molecular Weight282.17 g/mol
Exact Mass280.96
IUPAC Name4-bromo-6-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCSc1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C10H8BrN3S/c1-2-15-8-3-9(11)10-7(4-12)5-13-14(10)6-8/h3,5-6H,2H2,1H3
InChIKeyBMHSLSJTHHNKER-UHFFFAOYSA-N
XLogP3.08
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155296353) is 4-bromo-6-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile is CCSc1cc(Br)c2c(C#N)cnn2c1.
What is the InChIKey of 4-bromo-6-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is BMHSLSJTHHNKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3S/c1-2-15-8-3-9(11)10-7(4-12)5-13-14(10)6-8/h3,5-6H,2H2,1H3.
What are the key properties of 4-bromo-6-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-6-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 282.17 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-ethylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155296353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).