2-(1-methylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile

C10H11N3O3S — CID 122249319

IUPAC2-(1-methylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile
SMILESCS(=O)(=O)N1CC(Oc2ncccc2C#N)C1
InChIInChI=1S/C10H11N3O3S/c1-17(14,15)13-6-9(7-13)16-10-8(5-11)3-2-4-12-10/h2-4,9H,6-7H2,1H3
InChIKeyTZXSQGIUOUKDKG-UHFFFAOYSA-N
MW253.28 g/mol
LogP-0.02
Rot. Bonds3

About 2-(1-methylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile

2-(1-methylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile (PubChem CID 122249319) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-(1-methylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1-methylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile
PubChem CID122249319
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name2-(1-methylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile
SMILESCS(=O)(=O)N1CC(Oc2ncccc2C#N)C1
InChIInChI=1S/C10H11N3O3S/c1-17(14,15)13-6-9(7-13)16-10-8(5-11)3-2-4-12-10/h2-4,9H,6-7H2,1H3
InChIKeyTZXSQGIUOUKDKG-UHFFFAOYSA-N
XLogP-0.02
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile?
The IUPAC name of 2-(1-methylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile (CID 122249319) is 2-(1-methylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-(1-methylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile?
The canonical SMILES for 2-(1-methylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile is CS(=O)(=O)N1CC(Oc2ncccc2C#N)C1.
What is the InChIKey of 2-(1-methylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile?
The InChIKey is TZXSQGIUOUKDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-17(14,15)13-6-9(7-13)16-10-8(5-11)3-2-4-12-10/h2-4,9H,6-7H2,1H3.
What are the key properties of 2-(1-methylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile?
2-(1-methylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile has a molecular weight of 253.28 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylazetidin-3-yl)oxypyridine-3-carbonitrile is sourced from PubChem (CID 122249319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).