3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile

C14H11FN2O — CID 102817924

IUPAC3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile
SMILESN#Cc1cc(F)cc(OCCc2ccccn2)c1
InChIInChI=1S/C14H11FN2O/c15-12-7-11(10-16)8-14(9-12)18-6-4-13-3-1-2-5-17-13/h1-3,5,7-9H,4,6H2
InChIKeyDJHUPMPEOLUTPB-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.71
Rot. Bonds4

About 3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile

3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile (PubChem CID 102817924) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile
PubChem CID102817924
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile
SMILESN#Cc1cc(F)cc(OCCc2ccccn2)c1
InChIInChI=1S/C14H11FN2O/c15-12-7-11(10-16)8-14(9-12)18-6-4-13-3-1-2-5-17-13/h1-3,5,7-9H,4,6H2
InChIKeyDJHUPMPEOLUTPB-UHFFFAOYSA-N
XLogP2.71
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-(3-pyridin-4-ylpropoxy)benzonitrile
CID 102817925
4-fluoro-3-(2-pyridin-2-ylethoxymethyl)benzonitrile
CID 43128871
3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile
CID 78981152
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821
2-pyridin-2-ylethyl cyanate
CID 21195134
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile
CID 81305629
2-amino-5-bromo-3-(2-pyridin-2-ylethoxy)benzonitrile
CID 58540785
3-fluoro-5-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 102818187
trifluoro-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]boranuide
CID 65203015
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline
CID 60892612

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile?
The IUPAC name of 3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile (CID 102817924) is 3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile?
The canonical SMILES for 3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile is N#Cc1cc(F)cc(OCCc2ccccn2)c1.
What is the InChIKey of 3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile?
The InChIKey is DJHUPMPEOLUTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-12-7-11(10-16)8-14(9-12)18-6-4-13-3-1-2-5-17-13/h1-3,5,7-9H,4,6H2.
What are the key properties of 3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile?
3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile has a molecular weight of 242.25 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile is sourced from PubChem (CID 102817924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).