1-[4-(4-fluorophenoxy)phenyl]-2-pyridin-3-ylethane-1,2-dione

C19H12FNO3 — CID 70620227

IUPAC1-[4-(4-fluorophenoxy)phenyl]-2-pyridin-3-ylethane-1,2-dione
SMILESO=C(C(=O)c1cccnc1)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C19H12FNO3/c20-15-5-9-17(10-6-15)24-16-7-3-13(4-8-16)18(22)19(23)14-2-1-11-21-12-14/h1-12H
InChIKeyVASIEXJMQXHPOR-UHFFFAOYSA-N
MW321.31 g/mol
LogP4.08
Rot. Bonds5

About 1-[4-(4-fluorophenoxy)phenyl]-2-pyridin-3-ylethane-1,2-dione

1-[4-(4-fluorophenoxy)phenyl]-2-pyridin-3-ylethane-1,2-dione (PubChem CID 70620227) has the molecular formula C19H12FNO3 and a molecular weight of 321.31 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)phenyl]-2-pyridin-3-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)phenyl]-2-pyridin-3-ylethane-1,2-dione
PubChem CID70620227
Molecular FormulaC19H12FNO3
Molecular Weight321.31 g/mol
Exact Mass321.08
IUPAC Name1-[4-(4-fluorophenoxy)phenyl]-2-pyridin-3-ylethane-1,2-dione
SMILESO=C(C(=O)c1cccnc1)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C19H12FNO3/c20-15-5-9-17(10-6-15)24-16-7-3-13(4-8-16)18(22)19(23)14-2-1-11-21-12-14/h1-12H
InChIKeyVASIEXJMQXHPOR-UHFFFAOYSA-N
XLogP4.08
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)phenyl]-2-pyridin-3-ylethane-1,2-dione?
The IUPAC name of 1-[4-(4-fluorophenoxy)phenyl]-2-pyridin-3-ylethane-1,2-dione (CID 70620227) is 1-[4-(4-fluorophenoxy)phenyl]-2-pyridin-3-ylethane-1,2-dione.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)phenyl]-2-pyridin-3-ylethane-1,2-dione?
The canonical SMILES for 1-[4-(4-fluorophenoxy)phenyl]-2-pyridin-3-ylethane-1,2-dione is O=C(C(=O)c1cccnc1)c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)phenyl]-2-pyridin-3-ylethane-1,2-dione?
The InChIKey is VASIEXJMQXHPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO3/c20-15-5-9-17(10-6-15)24-16-7-3-13(4-8-16)18(22)19(23)14-2-1-11-21-12-14/h1-12H.
What are the key properties of 1-[4-(4-fluorophenoxy)phenyl]-2-pyridin-3-ylethane-1,2-dione?
1-[4-(4-fluorophenoxy)phenyl]-2-pyridin-3-ylethane-1,2-dione has a molecular weight of 321.31 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)phenyl]-2-pyridin-3-ylethane-1,2-dione is sourced from PubChem (CID 70620227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).