4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile

C13H9FN2O — CID 114014859

IUPAC4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile
SMILESN#Cc1ccc(F)cc1COc1cccnc1
InChIInChI=1S/C13H9FN2O/c14-12-4-3-10(7-15)11(6-12)9-17-13-2-1-5-16-8-13/h1-6,8H,9H2
InChIKeyMPWSLAUXPBYDKE-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.67
Rot. Bonds3

About 4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile

4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile (PubChem CID 114014859) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile.

Molecular Properties

Compound Name4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile
PubChem CID114014859
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile
SMILESN#Cc1ccc(F)cc1COc1cccnc1
InChIInChI=1S/C13H9FN2O/c14-12-4-3-10(7-15)11(6-12)9-17-13-2-1-5-16-8-13/h1-6,8H,9H2
InChIKeyMPWSLAUXPBYDKE-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

4-fluoro-2-[(3-iodophenoxy)methyl]benzonitrile
CID 114014305
2-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-4-fluorobenzonitrile
CID 114014507
2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile
CID 103759928
2-[(3-cyano-5-methoxyphenoxy)methyl]-4-fluorobenzonitrile
CID 103577959
2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile
CID 106794520
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile
CID 103760279
2-[(2,6-dimethylphenoxy)methyl]-4-fluorobenzonitrile
CID 107903218
2-[[4-(1-aminoethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107902665
2-[[4-bromo-3-(bromomethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107906263
4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile
CID 107909495
2-(1,3-benzodioxol-5-yloxymethyl)-4-fluorobenzonitrile
CID 103759935
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile?
The IUPAC name of 4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile (CID 114014859) is 4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile.
What is the SMILES notation for 4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile?
The canonical SMILES for 4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile is N#Cc1ccc(F)cc1COc1cccnc1.
What is the InChIKey of 4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile?
The InChIKey is MPWSLAUXPBYDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-12-4-3-10(7-15)11(6-12)9-17-13-2-1-5-16-8-13/h1-6,8H,9H2.
What are the key properties of 4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile?
4-fluoro-2-(pyridin-3-yloxymethyl)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-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile is sourced from PubChem (CID 114014859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).