(2-pyridin-2-ylphenyl) 2,6-difluorobenzoate

C18H11F2NO2 — CID 135069266

IUPAC(2-pyridin-2-ylphenyl) 2,6-difluorobenzoate
SMILESO=C(Oc1ccccc1-c1ccccn1)c1c(F)cccc1F
InChIInChI=1S/C18H11F2NO2/c19-13-7-5-8-14(20)17(13)18(22)23-16-10-2-1-6-12(16)15-9-3-4-11-21-15/h1-11H
InChIKeyRDALWABYLHTYQN-UHFFFAOYSA-N
MW311.29 g/mol
LogP4.25
Rot. Bonds3

About (2-pyridin-2-ylphenyl) 2,6-difluorobenzoate

(2-pyridin-2-ylphenyl) 2,6-difluorobenzoate (PubChem CID 135069266) has the molecular formula C18H11F2NO2 and a molecular weight of 311.29 g/mol. Its IUPAC name is (2-pyridin-2-ylphenyl) 2,6-difluorobenzoate.

Molecular Properties

Compound Name(2-pyridin-2-ylphenyl) 2,6-difluorobenzoate
PubChem CID135069266
Molecular FormulaC18H11F2NO2
Molecular Weight311.29 g/mol
Exact Mass311.08
IUPAC Name(2-pyridin-2-ylphenyl) 2,6-difluorobenzoate
SMILESO=C(Oc1ccccc1-c1ccccn1)c1c(F)cccc1F
InChIInChI=1S/C18H11F2NO2/c19-13-7-5-8-14(20)17(13)18(22)23-16-10-2-1-6-12(16)15-9-3-4-11-21-15/h1-11H
InChIKeyRDALWABYLHTYQN-UHFFFAOYSA-N
XLogP4.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 54.25
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 (2-pyridin-2-ylphenyl) 2,6-difluorobenzoate?
The IUPAC name of (2-pyridin-2-ylphenyl) 2,6-difluorobenzoate (CID 135069266) is (2-pyridin-2-ylphenyl) 2,6-difluorobenzoate.
What is the SMILES notation for (2-pyridin-2-ylphenyl) 2,6-difluorobenzoate?
The canonical SMILES for (2-pyridin-2-ylphenyl) 2,6-difluorobenzoate is O=C(Oc1ccccc1-c1ccccn1)c1c(F)cccc1F.
What is the InChIKey of (2-pyridin-2-ylphenyl) 2,6-difluorobenzoate?
The InChIKey is RDALWABYLHTYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2NO2/c19-13-7-5-8-14(20)17(13)18(22)23-16-10-2-1-6-12(16)15-9-3-4-11-21-15/h1-11H.
What are the key properties of (2-pyridin-2-ylphenyl) 2,6-difluorobenzoate?
(2-pyridin-2-ylphenyl) 2,6-difluorobenzoate has a molecular weight of 311.29 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-2-ylphenyl) 2,6-difluorobenzoate is sourced from PubChem (CID 135069266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).