5-(4-cyano-1,1,2,2-tetrafluoro-3-oxoinden-5-yl)oxypyridine-3-carbonitrile

C16H5F4N3O2 — CID 162518137

IUPAC5-(4-cyano-1,1,2,2-tetrafluoro-3-oxoinden-5-yl)oxypyridine-3-carbonitrile
SMILESN#Cc1cncc(Oc2ccc3c(c2C#N)C(=O)C(F)(F)C3(F)F)c1
InChIInChI=1S/C16H5F4N3O2/c17-15(18)11-1-2-12(25-9-3-8(4-21)6-23-7-9)10(5-22)13(11)14(24)16(15,19)20/h1-3,6-7H
InChIKeyXLDMKBXNNHWZMN-UHFFFAOYSA-N
MW347.23 g/mol
LogP3.54
Rot. Bonds2

About 5-(4-cyano-1,1,2,2-tetrafluoro-3-oxoinden-5-yl)oxypyridine-3-carbonitrile

5-(4-cyano-1,1,2,2-tetrafluoro-3-oxoinden-5-yl)oxypyridine-3-carbonitrile (PubChem CID 162518137) has the molecular formula C16H5F4N3O2 and a molecular weight of 347.23 g/mol. Its IUPAC name is 5-(4-cyano-1,1,2,2-tetrafluoro-3-oxoinden-5-yl)oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-cyano-1,1,2,2-tetrafluoro-3-oxoinden-5-yl)oxypyridine-3-carbonitrile
PubChem CID162518137
Molecular FormulaC16H5F4N3O2
Molecular Weight347.23 g/mol
Exact Mass347.03
IUPAC Name5-(4-cyano-1,1,2,2-tetrafluoro-3-oxoinden-5-yl)oxypyridine-3-carbonitrile
SMILESN#Cc1cncc(Oc2ccc3c(c2C#N)C(=O)C(F)(F)C3(F)F)c1
InChIInChI=1S/C16H5F4N3O2/c17-15(18)11-1-2-12(25-9-3-8(4-21)6-23-7-9)10(5-22)13(11)14(24)16(15,19)20/h1-3,6-7H
InChIKeyXLDMKBXNNHWZMN-UHFFFAOYSA-N
XLogP3.54
TPSA86.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyano-1,1,2,2-tetrafluoro-3-oxoinden-5-yl)oxypyridine-3-carbonitrile?
The IUPAC name of 5-(4-cyano-1,1,2,2-tetrafluoro-3-oxoinden-5-yl)oxypyridine-3-carbonitrile (CID 162518137) is 5-(4-cyano-1,1,2,2-tetrafluoro-3-oxoinden-5-yl)oxypyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-cyano-1,1,2,2-tetrafluoro-3-oxoinden-5-yl)oxypyridine-3-carbonitrile?
The canonical SMILES for 5-(4-cyano-1,1,2,2-tetrafluoro-3-oxoinden-5-yl)oxypyridine-3-carbonitrile is N#Cc1cncc(Oc2ccc3c(c2C#N)C(=O)C(F)(F)C3(F)F)c1.
What is the InChIKey of 5-(4-cyano-1,1,2,2-tetrafluoro-3-oxoinden-5-yl)oxypyridine-3-carbonitrile?
The InChIKey is XLDMKBXNNHWZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H5F4N3O2/c17-15(18)11-1-2-12(25-9-3-8(4-21)6-23-7-9)10(5-22)13(11)14(24)16(15,19)20/h1-3,6-7H.
What are the key properties of 5-(4-cyano-1,1,2,2-tetrafluoro-3-oxoinden-5-yl)oxypyridine-3-carbonitrile?
5-(4-cyano-1,1,2,2-tetrafluoro-3-oxoinden-5-yl)oxypyridine-3-carbonitrile has a molecular weight of 347.23 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyano-1,1,2,2-tetrafluoro-3-oxoinden-5-yl)oxypyridine-3-carbonitrile is sourced from PubChem (CID 162518137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).