3-[(5-fluoro-2-pyridinyl)oxymethyl]benzonitrile

C13H9FN2O — CID 126955115

IUPAC3-[(5-fluoro-2-pyridinyl)oxymethyl]benzonitrile
SMILESN#Cc1cccc(COc2ccc(F)cn2)c1
InChIInChI=1S/C13H9FN2O/c14-12-4-5-13(16-8-12)17-9-11-3-1-2-10(6-11)7-15/h1-6,8H,9H2
InChIKeyRKTAMKWVIJBUNY-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.67
Rot. Bonds3

About 3-[(5-fluoro-2-pyridinyl)oxymethyl]benzonitrile

3-[(5-fluoro-2-pyridinyl)oxymethyl]benzonitrile (PubChem CID 126955115) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 3-[(5-fluoro-2-pyridinyl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name3-[(5-fluoro-2-pyridinyl)oxymethyl]benzonitrile
PubChem CID126955115
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name3-[(5-fluoro-2-pyridinyl)oxymethyl]benzonitrile
SMILESN#Cc1cccc(COc2ccc(F)cn2)c1
InChIInChI=1S/C13H9FN2O/c14-12-4-5-13(16-8-12)17-9-11-3-1-2-10(6-11)7-15/h1-6,8H,9H2
InChIKeyRKTAMKWVIJBUNY-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

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Related Compounds

3-[(3,5-difluorophenoxy)methyl]benzonitrile
CID 62784850
3-[(2,3,4,5,6-pentafluorophenoxy)methyl]benzonitrile
CID 43607862
3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile
CID 22481973
3-[(3-fluorophenyl)methoxy]benzonitrile
CID 27108743
3-[[(5-fluoro-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 62968970
3-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]benzonitrile
CID 163917292
3-[[4-(chloromethyl)-2,6-difluorophenoxy]methyl]benzonitrile
CID 79888660
3-[(3-amino-2-methylphenoxy)methyl]benzonitrile
CID 43381829
(3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate
CID 41383660
3-[(2-ethylphenoxy)methyl]benzonitrile
CID 39158687
3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile
CID 79800273
3-[[4-(bromomethyl)-2-fluorophenoxy]methyl]benzonitrile
CID 107691629

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-pyridinyl)oxymethyl]benzonitrile?
The IUPAC name of 3-[(5-fluoro-2-pyridinyl)oxymethyl]benzonitrile (CID 126955115) is 3-[(5-fluoro-2-pyridinyl)oxymethyl]benzonitrile.
What is the SMILES notation for 3-[(5-fluoro-2-pyridinyl)oxymethyl]benzonitrile?
The canonical SMILES for 3-[(5-fluoro-2-pyridinyl)oxymethyl]benzonitrile is N#Cc1cccc(COc2ccc(F)cn2)c1.
What is the InChIKey of 3-[(5-fluoro-2-pyridinyl)oxymethyl]benzonitrile?
The InChIKey is RKTAMKWVIJBUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-12-4-5-13(16-8-12)17-9-11-3-1-2-10(6-11)7-15/h1-6,8H,9H2.
What are the key properties of 3-[(5-fluoro-2-pyridinyl)oxymethyl]benzonitrile?
3-[(5-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 3-[(5-fluoro-2-pyridinyl)oxymethyl]benzonitrile is sourced from PubChem (CID 126955115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).