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

C15H13FN2O — CID 43128871

IUPAC4-fluoro-3-(2-pyridin-2-ylethoxymethyl)benzonitrile
SMILESN#Cc1ccc(F)c(COCCc2ccccn2)c1
InChIInChI=1S/C15H13FN2O/c16-15-5-4-12(10-17)9-13(15)11-19-8-6-14-3-1-2-7-18-14/h1-5,7,9H,6,8,11H2
InChIKeyCGVLFYCPCRWRIM-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.85
Rot. Bonds5

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

4-fluoro-3-(2-pyridin-2-ylethoxymethyl)benzonitrile (PubChem CID 43128871) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-fluoro-3-(2-pyridin-2-ylethoxymethyl)benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-(2-pyridin-2-ylethoxymethyl)benzonitrile
PubChem CID43128871
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name4-fluoro-3-(2-pyridin-2-ylethoxymethyl)benzonitrile
SMILESN#Cc1ccc(F)c(COCCc2ccccn2)c1
InChIInChI=1S/C15H13FN2O/c16-15-5-4-12(10-17)9-13(15)11-19-8-6-14-3-1-2-7-18-14/h1-5,7,9H,6,8,11H2
InChIKeyCGVLFYCPCRWRIM-UHFFFAOYSA-N
XLogP2.85
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-fluoro-3-(2-pyridin-2-ylethoxymethyl)benzonitrile 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-fluoro-5-(2-pyridin-2-ylethoxy)benzonitrile
CID 102817924
4-fluoro-3-(octoxymethyl)benzonitrile
CID 43128149
4-fluoro-3-[3-(2-methoxyethoxy)propoxymethyl]benzonitrile
CID 103402454
5-fluoro-2-(2-pyridin-2-ylethoxymethyl)benzenecarbothioamide
CID 63293162
4-fluoro-3-[2-(propylamino)ethoxymethyl]benzonitrile
CID 62336315
3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
CID 29006279
3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile
CID 78981152
N-methyl-1-[5-methyl-4-(2-pyridin-2-ylethoxymethyl)furan-2-yl]methanamine
CID 62456490
2-pyridin-2-ylethyl cyanate
CID 21195134
O-(2-pyridin-2-ylethyl) N-(4-cyanophenyl)carbamothioate
CID 44560127
2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid
CID 106698358
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-pyridin-2-ylethoxymethyl)benzonitrile?
The IUPAC name of 4-fluoro-3-(2-pyridin-2-ylethoxymethyl)benzonitrile (CID 43128871) is 4-fluoro-3-(2-pyridin-2-ylethoxymethyl)benzonitrile.
What is the SMILES notation for 4-fluoro-3-(2-pyridin-2-ylethoxymethyl)benzonitrile?
The canonical SMILES for 4-fluoro-3-(2-pyridin-2-ylethoxymethyl)benzonitrile is N#Cc1ccc(F)c(COCCc2ccccn2)c1.
What is the InChIKey of 4-fluoro-3-(2-pyridin-2-ylethoxymethyl)benzonitrile?
The InChIKey is CGVLFYCPCRWRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-15-5-4-12(10-17)9-13(15)11-19-8-6-14-3-1-2-7-18-14/h1-5,7,9H,6,8,11H2.
What are the key properties of 4-fluoro-3-(2-pyridin-2-ylethoxymethyl)benzonitrile?
4-fluoro-3-(2-pyridin-2-ylethoxymethyl)benzonitrile has a molecular weight of 256.28 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-pyridin-2-ylethoxymethyl)benzonitrile is sourced from PubChem (CID 43128871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).