1-methyl-2-methylsulfonyl-2H-pyridine-6-carbonitrile

C8H10N2O2S — CID 134449122

IUPAC1-methyl-2-methylsulfonyl-2H-pyridine-6-carbonitrile
SMILESCN1C(C#N)=CC=CC1S(C)(=O)=O
InChIInChI=1S/C8H10N2O2S/c1-10-7(6-9)4-3-5-8(10)13(2,11)12/h3-5,8H,1-2H3
InChIKeyRLIFLMJALNEVER-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.27
Rot. Bonds1

About 1-methyl-2-methylsulfonyl-2H-pyridine-6-carbonitrile

1-methyl-2-methylsulfonyl-2H-pyridine-6-carbonitrile (PubChem CID 134449122) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 1-methyl-2-methylsulfonyl-2H-pyridine-6-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-methylsulfonyl-2H-pyridine-6-carbonitrile
PubChem CID134449122
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name1-methyl-2-methylsulfonyl-2H-pyridine-6-carbonitrile
SMILESCN1C(C#N)=CC=CC1S(C)(=O)=O
InChIInChI=1S/C8H10N2O2S/c1-10-7(6-9)4-3-5-8(10)13(2,11)12/h3-5,8H,1-2H3
InChIKeyRLIFLMJALNEVER-UHFFFAOYSA-N
XLogP0.27
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfonyl-2H-pyridine-6-carbonitrile?
The IUPAC name of 1-methyl-2-methylsulfonyl-2H-pyridine-6-carbonitrile (CID 134449122) is 1-methyl-2-methylsulfonyl-2H-pyridine-6-carbonitrile.
What is the SMILES notation for 1-methyl-2-methylsulfonyl-2H-pyridine-6-carbonitrile?
The canonical SMILES for 1-methyl-2-methylsulfonyl-2H-pyridine-6-carbonitrile is CN1C(C#N)=CC=CC1S(C)(=O)=O.
What is the InChIKey of 1-methyl-2-methylsulfonyl-2H-pyridine-6-carbonitrile?
The InChIKey is RLIFLMJALNEVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-10-7(6-9)4-3-5-8(10)13(2,11)12/h3-5,8H,1-2H3.
What are the key properties of 1-methyl-2-methylsulfonyl-2H-pyridine-6-carbonitrile?
1-methyl-2-methylsulfonyl-2H-pyridine-6-carbonitrile has a molecular weight of 198.25 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylsulfonyl-2H-pyridine-6-carbonitrile is sourced from PubChem (CID 134449122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).