2-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]pyridine-4-carbonitrile

C19H14FN3O3 — CID 122455991

IUPAC2-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCCOc2ccn(-c3ccc(F)cc3)c(=O)c2)c1
InChIInChI=1S/C19H14FN3O3/c20-15-1-3-16(4-2-15)23-8-6-17(12-19(23)24)25-9-10-26-18-11-14(13-21)5-7-22-18/h1-8,11-12H,9-10H2
InChIKeyOZVVQEGZPSWAJQ-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.70
Rot. Bonds6

About 2-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]pyridine-4-carbonitrile

2-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]pyridine-4-carbonitrile (PubChem CID 122455991) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 2-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]pyridine-4-carbonitrile
PubChem CID122455991
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name2-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCCOc2ccn(-c3ccc(F)cc3)c(=O)c2)c1
InChIInChI=1S/C19H14FN3O3/c20-15-1-3-16(4-2-15)23-8-6-17(12-19(23)24)25-9-10-26-18-11-14(13-21)5-7-22-18/h1-8,11-12H,9-10H2
InChIKeyOZVVQEGZPSWAJQ-UHFFFAOYSA-N
XLogP2.70
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]pyridine-4-carbonitrile (CID 122455991) is 2-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]pyridine-4-carbonitrile is N#Cc1ccnc(OCCOc2ccn(-c3ccc(F)cc3)c(=O)c2)c1.
What is the InChIKey of 2-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]pyridine-4-carbonitrile?
The InChIKey is OZVVQEGZPSWAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c20-15-1-3-16(4-2-15)23-8-6-17(12-19(23)24)25-9-10-26-18-11-14(13-21)5-7-22-18/h1-8,11-12H,9-10H2.
What are the key properties of 2-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]pyridine-4-carbonitrile?
2-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]pyridine-4-carbonitrile has a molecular weight of 351.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(4-fluorophenyl)-2-oxo-4-pyridinyl]oxy]ethoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 122455991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).