(4-fluoro-2-pyridin-2-ylphenyl) benzoate

C18H12FNO2 — CID 135066851

IUPAC(4-fluoro-2-pyridin-2-ylphenyl) benzoate
SMILESO=C(Oc1ccc(F)cc1-c1ccccn1)c1ccccc1
InChIInChI=1S/C18H12FNO2/c19-14-9-10-17(15(12-14)16-8-4-5-11-20-16)22-18(21)13-6-2-1-3-7-13/h1-12H
InChIKeyBLSBLZXAOASRQL-UHFFFAOYSA-N
MW293.30 g/mol
LogP4.11
Rot. Bonds3

About (4-fluoro-2-pyridin-2-ylphenyl) benzoate

(4-fluoro-2-pyridin-2-ylphenyl) benzoate (PubChem CID 135066851) has the molecular formula C18H12FNO2 and a molecular weight of 293.30 g/mol. Its IUPAC name is (4-fluoro-2-pyridin-2-ylphenyl) benzoate.

Molecular Properties

Compound Name(4-fluoro-2-pyridin-2-ylphenyl) benzoate
PubChem CID135066851
Molecular FormulaC18H12FNO2
Molecular Weight293.30 g/mol
Exact Mass293.09
IUPAC Name(4-fluoro-2-pyridin-2-ylphenyl) benzoate
SMILESO=C(Oc1ccc(F)cc1-c1ccccn1)c1ccccc1
InChIInChI=1S/C18H12FNO2/c19-14-9-10-17(15(12-14)16-8-4-5-11-20-16)22-18(21)13-6-2-1-3-7-13/h1-12H
InChIKeyBLSBLZXAOASRQL-UHFFFAOYSA-N
XLogP4.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-pyridin-2-ylphenyl) benzoate?
The IUPAC name of (4-fluoro-2-pyridin-2-ylphenyl) benzoate (CID 135066851) is (4-fluoro-2-pyridin-2-ylphenyl) benzoate.
What is the SMILES notation for (4-fluoro-2-pyridin-2-ylphenyl) benzoate?
The canonical SMILES for (4-fluoro-2-pyridin-2-ylphenyl) benzoate is O=C(Oc1ccc(F)cc1-c1ccccn1)c1ccccc1.
What is the InChIKey of (4-fluoro-2-pyridin-2-ylphenyl) benzoate?
The InChIKey is BLSBLZXAOASRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO2/c19-14-9-10-17(15(12-14)16-8-4-5-11-20-16)22-18(21)13-6-2-1-3-7-13/h1-12H.
What are the key properties of (4-fluoro-2-pyridin-2-ylphenyl) benzoate?
(4-fluoro-2-pyridin-2-ylphenyl) benzoate has a molecular weight of 293.30 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-pyridin-2-ylphenyl) benzoate is sourced from PubChem (CID 135066851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).