5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile

C13H11N3O3S — CID 60924024

IUPAC5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile
SMILESCS(=O)(=O)c1cccc(Oc2ncc(N)cc2C#N)c1
InChIInChI=1S/C13H11N3O3S/c1-20(17,18)12-4-2-3-11(6-12)19-13-9(7-14)5-10(15)8-16-13/h2-6,8H,15H2,1H3
InChIKeyPIFPDSXBGIXHPD-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.73
Rot. Bonds3

About 5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile

5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile (PubChem CID 60924024) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile
PubChem CID60924024
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile
SMILESCS(=O)(=O)c1cccc(Oc2ncc(N)cc2C#N)c1
InChIInChI=1S/C13H11N3O3S/c1-20(17,18)12-4-2-3-11(6-12)19-13-9(7-14)5-10(15)8-16-13/h2-6,8H,15H2,1H3
InChIKeyPIFPDSXBGIXHPD-UHFFFAOYSA-N
XLogP1.73
TPSA106.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-phenoxypyridine-3-carbonitrile
CID 60923162
5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile
CID 62338626
5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile
CID 54861089
2-amino-5-(3-methylsulfonylphenoxy)benzonitrile
CID 115499811
3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile
CID 60620396
5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile
CID 60923806
5-amino-2-(2,3-dichlorophenoxy)pyridine-3-carbonitrile
CID 54860994
5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile
CID 54861104
5-amino-2-(3-chloro-4-fluorophenoxy)pyridine-3-carbonitrile
CID 63878450
4-bromo-2-(3-methylsulfonylphenoxy)benzonitrile
CID 114902433
3,5-dichloro-6-(3-methylsulfonylphenoxy)pyridin-2-amine
CID 102760799
3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine
CID 61267710

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile (CID 60924024) is 5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile is CS(=O)(=O)c1cccc(Oc2ncc(N)cc2C#N)c1.
What is the InChIKey of 5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile?
The InChIKey is PIFPDSXBGIXHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-20(17,18)12-4-2-3-11(6-12)19-13-9(7-14)5-10(15)8-16-13/h2-6,8H,15H2,1H3.
What are the key properties of 5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile?
5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile has a molecular weight of 289.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 60924024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).