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

C11H10BrN3OS — CID 155296233

IUPAC4-bromo-6-(2-methylsulfanylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCSCCOc1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C11H10BrN3OS/c1-17-3-2-16-9-4-10(12)11-8(5-13)6-14-15(11)7-9/h4,6-7H,2-3H2,1H3
InChIKeyFDDPSENFCCGREJ-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.71
Rot. Bonds4

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

4-bromo-6-(2-methylsulfanylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155296233) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is 4-bromo-6-(2-methylsulfanylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-(2-methylsulfanylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155296233
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC Name4-bromo-6-(2-methylsulfanylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCSCCOc1cc(Br)c2c(C#N)cnn2c1
InChIInChI=1S/C11H10BrN3OS/c1-17-3-2-16-9-4-10(12)11-8(5-13)6-14-15(11)7-9/h4,6-7H,2-3H2,1H3
InChIKeyFDDPSENFCCGREJ-UHFFFAOYSA-N
XLogP2.71
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(2-methylsulfanylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-(2-methylsulfanylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155296233) is 4-bromo-6-(2-methylsulfanylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-(2-methylsulfanylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-(2-methylsulfanylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CSCCOc1cc(Br)c2c(C#N)cnn2c1.
What is the InChIKey of 4-bromo-6-(2-methylsulfanylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is FDDPSENFCCGREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c1-17-3-2-16-9-4-10(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-methylsulfanylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-6-(2-methylsulfanylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 312.19 g/mol, XLogP of 2.71, 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-methylsulfanylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155296233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).