4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile

C13H9FN2O — CID 59255294

IUPAC4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2cccc(F)n2)cc1
InChIInChI=1S/C13H9FN2O/c14-12-2-1-3-13(16-12)17-9-11-6-4-10(8-15)5-7-11/h1-7H,9H2
InChIKeyHCFLACUCALNWBE-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.67
Rot. Bonds3

About 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile

4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile (PubChem CID 59255294) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile
PubChem CID59255294
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2cccc(F)n2)cc1
InChIInChI=1S/C13H9FN2O/c14-12-2-1-3-13(16-12)17-9-11-6-4-10(8-15)5-7-11/h1-7H,9H2
InChIKeyHCFLACUCALNWBE-UHFFFAOYSA-N
XLogP2.67
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
CID 61227794
4-[(2,3-difluorophenoxy)methyl]benzonitrile
CID 63036941
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
4-(2H-triazol-4-yloxymethyl)benzonitrile
CID 155653521
4-[[4-(bromomethyl)phenoxy]methyl]benzonitrile
CID 43141537
4-[(6-chloro-2-pyridinyl)oxymethyl]-3-fluorobenzonitrile
CID 134611185
3-fluoro-4-[(6-methyl-2-pyridinyl)oxymethyl]benzonitrile
CID 156731509
4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile
CID 7670853
4-[(2-bromo-3-pyridinyl)oxymethyl]benzonitrile
CID 47808098
4-[(4-bromo-2-pyridinyl)oxymethyl]benzonitrile
CID 177255631
2-bromo-6-[(4-bromophenyl)methoxy]pyridine
CID 82824913
2-fluoro-6-(furan-2-ylmethoxy)pyridine
CID 61228771

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile?
The IUPAC name of 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile (CID 59255294) is 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile.
What is the SMILES notation for 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile?
The canonical SMILES for 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile is N#Cc1ccc(COc2cccc(F)n2)cc1.
What is the InChIKey of 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile?
The InChIKey is HCFLACUCALNWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-12-2-1-3-13(16-12)17-9-11-6-4-10(8-15)5-7-11/h1-7H,9H2.
What are the key properties of 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile?
4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile has a molecular weight of 228.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile is sourced from PubChem (CID 59255294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).