methyl 3,5-dipyridin-2-ylbenzoate

C18H14N2O2 — CID 50905009

IUPACmethyl 3,5-dipyridin-2-ylbenzoate
SMILESCOC(=O)c1cc(-c2ccccn2)cc(-c2ccccn2)c1
InChIInChI=1S/C18H14N2O2/c1-22-18(21)15-11-13(16-6-2-4-8-19-16)10-14(12-15)17-7-3-5-9-20-17/h2-12H,1H3
InChIKeyZDTQROCOZIMDLE-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.60
Rot. Bonds3

About methyl 3,5-dipyridin-2-ylbenzoate

methyl 3,5-dipyridin-2-ylbenzoate (PubChem CID 50905009) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 3,5-dipyridin-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 3,5-dipyridin-2-ylbenzoate
PubChem CID50905009
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Namemethyl 3,5-dipyridin-2-ylbenzoate
SMILESCOC(=O)c1cc(-c2ccccn2)cc(-c2ccccn2)c1
InChIInChI=1S/C18H14N2O2/c1-22-18(21)15-11-13(16-6-2-4-8-19-16)10-14(12-15)17-7-3-5-9-20-17/h2-12H,1H3
InChIKeyZDTQROCOZIMDLE-UHFFFAOYSA-N
XLogP3.60
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3,5-dipyridin-2-ylbenzoate 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 methyl 3,5-dipyridin-2-ylbenzoate?
The IUPAC name of methyl 3,5-dipyridin-2-ylbenzoate (CID 50905009) is methyl 3,5-dipyridin-2-ylbenzoate.
What is the SMILES notation for methyl 3,5-dipyridin-2-ylbenzoate?
The canonical SMILES for methyl 3,5-dipyridin-2-ylbenzoate is COC(=O)c1cc(-c2ccccn2)cc(-c2ccccn2)c1.
What is the InChIKey of methyl 3,5-dipyridin-2-ylbenzoate?
The InChIKey is ZDTQROCOZIMDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-22-18(21)15-11-13(16-6-2-4-8-19-16)10-14(12-15)17-7-3-5-9-20-17/h2-12H,1H3.
What are the key properties of methyl 3,5-dipyridin-2-ylbenzoate?
methyl 3,5-dipyridin-2-ylbenzoate has a molecular weight of 290.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dipyridin-2-ylbenzoate is sourced from PubChem (CID 50905009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).