2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile

C17H13F2N3O2 — CID 122252535

IUPAC2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(C(=O)Cc3ccc(F)cc3F)C2)c1
InChIInChI=1S/C17H13F2N3O2/c18-13-2-1-12(15(19)7-13)6-17(23)22-9-14(10-22)24-16-5-11(8-20)3-4-21-16/h1-5,7,14H,6,9-10H2
InChIKeySYORGOMCRNJXOC-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.06
Rot. Bonds4

About 2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile

2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122252535) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122252535
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(C(=O)Cc3ccc(F)cc3F)C2)c1
InChIInChI=1S/C17H13F2N3O2/c18-13-2-1-12(15(19)7-13)6-17(23)22-9-14(10-22)24-16-5-11(8-20)3-4-21-16/h1-5,7,14H,6,9-10H2
InChIKeySYORGOMCRNJXOC-UHFFFAOYSA-N
XLogP2.06
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile (CID 122252535) is 2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile is N#Cc1ccnc(OC2CN(C(=O)Cc3ccc(F)cc3F)C2)c1.
What is the InChIKey of 2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is SYORGOMCRNJXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-13-2-1-12(15(19)7-13)6-17(23)22-9-14(10-22)24-16-5-11(8-20)3-4-21-16/h1-5,7,14H,6,9-10H2.
What are the key properties of 2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 329.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).