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

C10H9BrN4OS — CID 162767285

IUPAC4-bromo-6-(ethylsulfonimidoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILES[H]N=S(=O)(CC)c1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C10H9BrN4OS/c1-2-17(13,16)8-3-9(11)10-7(4-12)5-14-15(10)6-8/h3,5-6,13H,2H2,1H3
InChIKeyRQWBYXJUXRHCND-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.39
Rot. Bonds2

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

4-bromo-6-(ethylsulfonimidoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 162767285) has the molecular formula C10H9BrN4OS and a molecular weight of 313.18 g/mol. Its IUPAC name is 4-bromo-6-(ethylsulfonimidoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-(ethylsulfonimidoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID162767285
Molecular FormulaC10H9BrN4OS
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC Name4-bromo-6-(ethylsulfonimidoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILES[H]N=S(=O)(CC)c1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C10H9BrN4OS/c1-2-17(13,16)8-3-9(11)10-7(4-12)5-14-15(10)6-8/h3,5-6,13H,2H2,1H3
InChIKeyRQWBYXJUXRHCND-UHFFFAOYSA-N
XLogP2.39
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(ethylsulfonimidoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-(ethylsulfonimidoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 162767285) is 4-bromo-6-(ethylsulfonimidoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-(ethylsulfonimidoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-(ethylsulfonimidoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is [H]N=S(=O)(CC)c1cc(Br)c2c(C#N)cnn2c1.
What is the InChIKey of 4-bromo-6-(ethylsulfonimidoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is RQWBYXJUXRHCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4OS/c1-2-17(13,16)8-3-9(11)10-7(4-12)5-14-15(10)6-8/h3,5-6,13H,2H2,1H3.
What are the key properties of 4-bromo-6-(ethylsulfonimidoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-6-(ethylsulfonimidoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 313.18 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(ethylsulfonimidoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 162767285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).