(2-pyridin-2-ylphenyl) 4-chlorobenzoate

C18H12ClNO2 — CID 86072267

IUPAC(2-pyridin-2-ylphenyl) 4-chlorobenzoate
SMILESO=C(Oc1ccccc1-c1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClNO2/c19-14-10-8-13(9-11-14)18(21)22-17-7-2-1-5-15(17)16-6-3-4-12-20-16/h1-12H
InChIKeyFYBXBASUQVGHPX-UHFFFAOYSA-N
MW309.75 g/mol
LogP4.62
Rot. Bonds3

About (2-pyridin-2-ylphenyl) 4-chlorobenzoate

(2-pyridin-2-ylphenyl) 4-chlorobenzoate (PubChem CID 86072267) has the molecular formula C18H12ClNO2 and a molecular weight of 309.75 g/mol. Its IUPAC name is (2-pyridin-2-ylphenyl) 4-chlorobenzoate.

Molecular Properties

Compound Name(2-pyridin-2-ylphenyl) 4-chlorobenzoate
PubChem CID86072267
Molecular FormulaC18H12ClNO2
Molecular Weight309.75 g/mol
Exact Mass309.06
IUPAC Name(2-pyridin-2-ylphenyl) 4-chlorobenzoate
SMILESO=C(Oc1ccccc1-c1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClNO2/c19-14-10-8-13(9-11-14)18(21)22-17-7-2-1-5-15(17)16-6-3-4-12-20-16/h1-12H
InChIKeyFYBXBASUQVGHPX-UHFFFAOYSA-N
XLogP4.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-pyridin-2-ylphenyl) 4-chlorobenzoate 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 (2-pyridin-2-ylphenyl) 4-chlorobenzoate?
The IUPAC name of (2-pyridin-2-ylphenyl) 4-chlorobenzoate (CID 86072267) is (2-pyridin-2-ylphenyl) 4-chlorobenzoate.
What is the SMILES notation for (2-pyridin-2-ylphenyl) 4-chlorobenzoate?
The canonical SMILES for (2-pyridin-2-ylphenyl) 4-chlorobenzoate is O=C(Oc1ccccc1-c1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of (2-pyridin-2-ylphenyl) 4-chlorobenzoate?
The InChIKey is FYBXBASUQVGHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO2/c19-14-10-8-13(9-11-14)18(21)22-17-7-2-1-5-15(17)16-6-3-4-12-20-16/h1-12H.
What are the key properties of (2-pyridin-2-ylphenyl) 4-chlorobenzoate?
(2-pyridin-2-ylphenyl) 4-chlorobenzoate has a molecular weight of 309.75 g/mol, XLogP of 4.62, 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) 4-chlorobenzoate is sourced from PubChem (CID 86072267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).