2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile

C16H14FN3O3S — CID 122252663

IUPAC2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(S(=O)(=O)Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C16H14FN3O3S/c17-14-3-1-12(2-4-14)11-24(21,22)20-9-15(10-20)23-16-7-13(8-18)5-6-19-16/h1-7,15H,9-11H2
InChIKeyZGCYPXKTTAEFBQ-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.69
Rot. Bonds5

About 2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile

2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122252663) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122252663
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(S(=O)(=O)Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C16H14FN3O3S/c17-14-3-1-12(2-4-14)11-24(21,22)20-9-15(10-20)23-16-7-13(8-18)5-6-19-16/h1-7,15H,9-11H2
InChIKeyZGCYPXKTTAEFBQ-UHFFFAOYSA-N
XLogP1.69
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile (CID 122252663) is 2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile is N#Cc1ccnc(OC2CN(S(=O)(=O)Cc3ccc(F)cc3)C2)c1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is ZGCYPXKTTAEFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c17-14-3-1-12(2-4-14)11-24(21,22)20-9-15(10-20)23-16-7-13(8-18)5-6-19-16/h1-7,15H,9-11H2.
What are the key properties of 2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 347.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methylsulfonyl]azetidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).