2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile

C14H12N2O3S — CID 53416000

IUPAC2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile
SMILESCc1nc(Oc2ccc(S(C)(=O)=O)cc2)ccc1C#N
InChIInChI=1S/C14H12N2O3S/c1-10-11(9-15)3-8-14(16-10)19-12-4-6-13(7-5-12)20(2,17)18/h3-8H,1-2H3
InChIKeyFPBZGERQYXQQBC-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.46
Rot. Bonds3

About 2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile

2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile (PubChem CID 53416000) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile
PubChem CID53416000
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile
SMILESCc1nc(Oc2ccc(S(C)(=O)=O)cc2)ccc1C#N
InChIInChI=1S/C14H12N2O3S/c1-10-11(9-15)3-8-14(16-10)19-12-4-6-13(7-5-12)20(2,17)18/h3-8H,1-2H3
InChIKeyFPBZGERQYXQQBC-UHFFFAOYSA-N
XLogP2.46
TPSA80.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylsulfonylphenoxy)pyridazine-4-carbonitrile
CID 80510996
2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine
CID 53486073
N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine
CID 80874009
3-bromo-5-(4-methylsulfonylphenoxy)benzonitrile
CID 102817989
2-butoxy-4-methylsulfonylbenzonitrile
CID 59169933
6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile
CID 130560169
3-cyano-2-ethyl-6-[4-(sulfinatoamino)phenoxy]pyridine
CID 71010337
N'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide
CID 43807024
6-(4-fluorophenoxy)-3-nitropyridine-2-carbonitrile
CID 133499923
2-[(2S)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-5-(4-methylsulfonylphenoxy)benzonitrile
CID 141138484
methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate
CID 66458474
3-methoxy-5-(4-methylsulfonylphenoxy)benzoic acid
CID 59649435

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile (CID 53416000) is 2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile is Cc1nc(Oc2ccc(S(C)(=O)=O)cc2)ccc1C#N.
What is the InChIKey of 2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile?
The InChIKey is FPBZGERQYXQQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-10-11(9-15)3-8-14(16-10)19-12-4-6-13(7-5-12)20(2,17)18/h3-8H,1-2H3.
What are the key properties of 2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile?
2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile has a molecular weight of 288.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 53416000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).