2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile

C11H5F9N2O — CID 167152493

IUPAC2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F9N2O/c12-8(13,9(14,15)10(16,17)11(18,19)20)5-23-7-6(4-21)2-1-3-22-7/h1-3H,5H2
InChIKeySOXIPTKGFPKOJC-UHFFFAOYSA-N
MW352.16 g/mol
LogP3.80
Rot. Bonds5

About 2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile

2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile (PubChem CID 167152493) has the molecular formula C11H5F9N2O and a molecular weight of 352.16 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile
PubChem CID167152493
Molecular FormulaC11H5F9N2O
Molecular Weight352.16 g/mol
Exact Mass352.03
IUPAC Name2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F9N2O/c12-8(13,9(14,15)10(16,17)11(18,19)20)5-23-7-6(4-21)2-1-3-22-7/h1-3H,5H2
InChIKeySOXIPTKGFPKOJC-UHFFFAOYSA-N
XLogP3.80
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine
CID 167152496
2-(2-amino-2-methylpropoxy)pyridine-3-carbonitrile
CID 64538428
2-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
CID 54400483
2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile
CID 66231573
2-phenylmethoxypyridine-3-carbonitrile
CID 12604511
2-hexoxypyridine-3-carbonitrile
CID 29001326
2-[[1-(aminomethyl)cyclopropyl]methoxy]pyridine-3-carbonitrile
CID 117096438
2-[2-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 24708942
2-fluoro-4-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phenyl]benzonitrile
CID 101497715
2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile
CID 12529033
(3Z)-5-cyano-2-methyl-6-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)-N-pyrazin-1-ium-1-ylpyridine-3-carboximidate
CID 166006309
3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile
CID 82812758

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile (CID 167152493) is 2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile is N#Cc1cccnc1OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile?
The InChIKey is SOXIPTKGFPKOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F9N2O/c12-8(13,9(14,15)10(16,17)11(18,19)20)5-23-7-6(4-21)2-1-3-22-7/h1-3H,5H2.
What are the key properties of 2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile?
2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile has a molecular weight of 352.16 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 167152493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).