2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile

C9H7N3S — CID 13440829

IUPAC2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCSc1nn2ccccc2c1C#N
InChIInChI=1S/C9H7N3S/c1-13-9-7(6-10)8-4-2-3-5-12(8)11-9/h2-5H,1H3
InChIKeyMIGQLPARWDRCNG-UHFFFAOYSA-N
MW189.24 g/mol
LogP1.93
Rot. Bonds1

About 2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile

2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 13440829) has the molecular formula C9H7N3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID13440829
Molecular FormulaC9H7N3S
Molecular Weight189.24 g/mol
Exact Mass189.04
IUPAC Name2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCSc1nn2ccccc2c1C#N
InChIInChI=1S/C9H7N3S/c1-13-9-7(6-10)8-4-2-3-5-12(8)11-9/h2-5H,1H3
InChIKeyMIGQLPARWDRCNG-UHFFFAOYSA-N
XLogP1.93
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile (CID 13440829) is 2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile is CSc1nn2ccccc2c1C#N.
What is the InChIKey of 2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is MIGQLPARWDRCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3S/c1-13-9-7(6-10)8-4-2-3-5-12(8)11-9/h2-5H,1H3.
What are the key properties of 2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile?
2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 189.24 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 13440829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).