methyl 2,4-dipyridin-4-ylbenzoate

C18H14N2O2 — CID 46317525

IUPACmethyl 2,4-dipyridin-4-ylbenzoate
SMILESCOC(=O)c1ccc(-c2ccncc2)cc1-c1ccncc1
InChIInChI=1S/C18H14N2O2/c1-22-18(21)16-3-2-15(13-4-8-19-9-5-13)12-17(16)14-6-10-20-11-7-14/h2-12H,1H3
InChIKeyTULQDZNPCJKYMH-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.60
Rot. Bonds3

About methyl 2,4-dipyridin-4-ylbenzoate

methyl 2,4-dipyridin-4-ylbenzoate (PubChem CID 46317525) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 2,4-dipyridin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 2,4-dipyridin-4-ylbenzoate
PubChem CID46317525
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Namemethyl 2,4-dipyridin-4-ylbenzoate
SMILESCOC(=O)c1ccc(-c2ccncc2)cc1-c1ccncc1
InChIInChI=1S/C18H14N2O2/c1-22-18(21)16-3-2-15(13-4-8-19-9-5-13)12-17(16)14-6-10-20-11-7-14/h2-12H,1H3
InChIKeyTULQDZNPCJKYMH-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 2,4-dipyridin-4-ylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-pyridin-4-yl-2-(trifluoromethoxy)benzoate
CID 46317670
methyl 4-pyridin-4-ylpyridine-2-carboxylate
CID 46317488
methyl 3-pyridin-4-ylbenzoate
CID 5152687
methyl 2-(piperazine-1-carbonyl)-5-pyridin-4-ylbenzoate
CID 22329728
methyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate
CID 25231209
ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate
CID 142338592
methyl 4-amino-2-(4-fluorophenyl)benzoate
CID 18476027
methyl 4-nitro-2-[4-(trifluoromethyl)phenyl]benzoate
CID 134630374
dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate
CID 135017986
methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate
CID 74891373
methyl 2-phenyl-4-sulfanylbenzoate
CID 54364019
methyl 4-amino-2-phenylbenzoate
CID 15406988

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dipyridin-4-ylbenzoate?
The IUPAC name of methyl 2,4-dipyridin-4-ylbenzoate (CID 46317525) is methyl 2,4-dipyridin-4-ylbenzoate.
What is the SMILES notation for methyl 2,4-dipyridin-4-ylbenzoate?
The canonical SMILES for methyl 2,4-dipyridin-4-ylbenzoate is COC(=O)c1ccc(-c2ccncc2)cc1-c1ccncc1.
What is the InChIKey of methyl 2,4-dipyridin-4-ylbenzoate?
The InChIKey is TULQDZNPCJKYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-22-18(21)16-3-2-15(13-4-8-19-9-5-13)12-17(16)14-6-10-20-11-7-14/h2-12H,1H3.
What are the key properties of methyl 2,4-dipyridin-4-ylbenzoate?
methyl 2,4-dipyridin-4-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 2,4-dipyridin-4-ylbenzoate is sourced from PubChem (CID 46317525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).