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

C10H8BrN3OS — CID 155300980

IUPAC4-bromo-6-ethylsulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCS(=O)c1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C10H8BrN3OS/c1-2-16(15)8-3-9(11)10-7(4-12)5-13-14(10)6-8/h3,5-6H,2H2,1H3
InChIKeyBPPRBUYVUOTRRV-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.10
Rot. Bonds2

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

4-bromo-6-ethylsulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155300980) has the molecular formula C10H8BrN3OS and a molecular weight of 298.17 g/mol. Its IUPAC name is 4-bromo-6-ethylsulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-ethylsulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155300980
Molecular FormulaC10H8BrN3OS
Molecular Weight298.17 g/mol
Exact Mass296.96
IUPAC Name4-bromo-6-ethylsulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCS(=O)c1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C10H8BrN3OS/c1-2-16(15)8-3-9(11)10-7(4-12)5-13-14(10)6-8/h3,5-6H,2H2,1H3
InChIKeyBPPRBUYVUOTRRV-UHFFFAOYSA-N
XLogP2.10
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-ethylsulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-ethylsulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155300980) is 4-bromo-6-ethylsulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-ethylsulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-ethylsulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile is CCS(=O)c1cc(Br)c2c(C#N)cnn2c1.
What is the InChIKey of 4-bromo-6-ethylsulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is BPPRBUYVUOTRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3OS/c1-2-16(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-ethylsulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-6-ethylsulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 298.17 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-ethylsulfinylpyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155300980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).