4-(4-fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile

C20H14FN3O — CID 154644717

IUPAC4-(4-fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile
SMILESC=CCOc1nc(-c2ccccn2)cc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C20H14FN3O/c1-2-11-25-20-17(13-22)16(14-6-8-15(21)9-7-14)12-19(24-20)18-5-3-4-10-23-18/h2-10,12H,1,11H2
InChIKeyNFTNFCQPOHTZDP-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.39
Rot. Bonds5

About 4-(4-fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile

4-(4-fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile (PubChem CID 154644717) has the molecular formula C20H14FN3O and a molecular weight of 331.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile
PubChem CID154644717
Molecular FormulaC20H14FN3O
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC Name4-(4-fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile
SMILESC=CCOc1nc(-c2ccccn2)cc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C20H14FN3O/c1-2-11-25-20-17(13-22)16(14-6-8-15(21)9-7-14)12-19(24-20)18-5-3-4-10-23-18/h2-10,12H,1,11H2
InChIKeyNFTNFCQPOHTZDP-UHFFFAOYSA-N
XLogP4.39
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile (CID 154644717) is 4-(4-fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile is C=CCOc1nc(-c2ccccn2)cc(-c2ccc(F)cc2)c1C#N.
What is the InChIKey of 4-(4-fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile?
The InChIKey is NFTNFCQPOHTZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O/c1-2-11-25-20-17(13-22)16(14-6-8-15(21)9-7-14)12-19(24-20)18-5-3-4-10-23-18/h2-10,12H,1,11H2.
What are the key properties of 4-(4-fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile?
4-(4-fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile has a molecular weight of 331.35 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 154644717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).