3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile

C13H9FN2O — CID 10036717

IUPAC3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COc1ccc(F)cc1
InChIInChI=1S/C13H9FN2O/c14-11-3-5-12(6-4-11)17-9-10-2-1-7-16-13(10)8-15/h1-7H,9H2
InChIKeyPFMIPBIFUVLENJ-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.67
Rot. Bonds3

About 3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile

3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 10036717) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
PubChem CID10036717
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COc1ccc(F)cc1
InChIInChI=1S/C13H9FN2O/c14-11-3-5-12(6-4-11)17-9-10-2-1-7-16-13(10)8-15/h1-7H,9H2
InChIKeyPFMIPBIFUVLENJ-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

Analyze 3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894480
3-[[4-(3-chloroprop-1-ynyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62893274
3-[[4-(4-chlorobut-1-ynyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894107
[4-[(2-cyano-3-pyridinyl)methoxy]-2-fluorophenyl]boronic acid
CID 65203522
3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
CID 163255226
3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63365521
3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63367788
3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile
CID 62895615
3-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridine-2-carbonitrile
CID 103289458
3-[[6-(bromomethyl)-3-pyridinyl]oxymethyl]pyridine-2-carbonitrile
CID 79799573
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920098

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile (CID 10036717) is 3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile is N#Cc1ncccc1COc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is PFMIPBIFUVLENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-11-3-5-12(6-4-11)17-9-10-2-1-7-16-13(10)8-15/h1-7H,9H2.
What are the key properties of 3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile?
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile 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-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 10036717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).