2-methyl-6-methylsulfonylindazole-3-carbonitrile

C10H9N3O2S — CID 170759730

IUPAC2-methyl-6-methylsulfonylindazole-3-carbonitrile
SMILESCn1nc2cc(S(C)(=O)=O)ccc2c1C#N
InChIInChI=1S/C10H9N3O2S/c1-13-10(6-11)8-4-3-7(16(2,14)15)5-9(8)12-13/h3-5H,1-2H3
InChIKeyKWWMLFSRVSRKMZ-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.85
Rot. Bonds1

About 2-methyl-6-methylsulfonylindazole-3-carbonitrile

2-methyl-6-methylsulfonylindazole-3-carbonitrile (PubChem CID 170759730) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-methyl-6-methylsulfonylindazole-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-methylsulfonylindazole-3-carbonitrile
PubChem CID170759730
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name2-methyl-6-methylsulfonylindazole-3-carbonitrile
SMILESCn1nc2cc(S(C)(=O)=O)ccc2c1C#N
InChIInChI=1S/C10H9N3O2S/c1-13-10(6-11)8-4-3-7(16(2,14)15)5-9(8)12-13/h3-5H,1-2H3
InChIKeyKWWMLFSRVSRKMZ-UHFFFAOYSA-N
XLogP0.85
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylsulfonylindazole-3-carbonitrile?
The IUPAC name of 2-methyl-6-methylsulfonylindazole-3-carbonitrile (CID 170759730) is 2-methyl-6-methylsulfonylindazole-3-carbonitrile.
What is the SMILES notation for 2-methyl-6-methylsulfonylindazole-3-carbonitrile?
The canonical SMILES for 2-methyl-6-methylsulfonylindazole-3-carbonitrile is Cn1nc2cc(S(C)(=O)=O)ccc2c1C#N.
What is the InChIKey of 2-methyl-6-methylsulfonylindazole-3-carbonitrile?
The InChIKey is KWWMLFSRVSRKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-13-10(6-11)8-4-3-7(16(2,14)15)5-9(8)12-13/h3-5H,1-2H3.
What are the key properties of 2-methyl-6-methylsulfonylindazole-3-carbonitrile?
2-methyl-6-methylsulfonylindazole-3-carbonitrile has a molecular weight of 235.27 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylsulfonylindazole-3-carbonitrile is sourced from PubChem (CID 170759730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).