(2,4-dichlorophenyl)methyl pyridine-4-carboxylate

C13H9Cl2NO2 — CID 1094797

IUPAC(2,4-dichlorophenyl)methyl pyridine-4-carboxylate
SMILESO=C(OCc1ccc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C13H9Cl2NO2/c14-11-2-1-10(12(15)7-11)8-18-13(17)9-3-5-16-6-4-9/h1-7H,8H2
InChIKeyXKSORELCQAZPAN-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.75
Rot. Bonds3

About (2,4-dichlorophenyl)methyl pyridine-4-carboxylate

(2,4-dichlorophenyl)methyl pyridine-4-carboxylate (PubChem CID 1094797) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl pyridine-4-carboxylate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl pyridine-4-carboxylate
PubChem CID1094797
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name(2,4-dichlorophenyl)methyl pyridine-4-carboxylate
SMILESO=C(OCc1ccc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C13H9Cl2NO2/c14-11-2-1-10(12(15)7-11)8-18-13(17)9-3-5-16-6-4-9/h1-7H,8H2
InChIKeyXKSORELCQAZPAN-UHFFFAOYSA-N
XLogP3.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,4-dichlorophenyl)methyl pyridine-4-carboxylate 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 (2,4-dichlorophenyl)methyl pyridine-4-carboxylate?
The IUPAC name of (2,4-dichlorophenyl)methyl pyridine-4-carboxylate (CID 1094797) is (2,4-dichlorophenyl)methyl pyridine-4-carboxylate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl pyridine-4-carboxylate?
The canonical SMILES for (2,4-dichlorophenyl)methyl pyridine-4-carboxylate is O=C(OCc1ccc(Cl)cc1Cl)c1ccncc1.
What is the InChIKey of (2,4-dichlorophenyl)methyl pyridine-4-carboxylate?
The InChIKey is XKSORELCQAZPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-11-2-1-10(12(15)7-11)8-18-13(17)9-3-5-16-6-4-9/h1-7H,8H2.
What are the key properties of (2,4-dichlorophenyl)methyl pyridine-4-carboxylate?
(2,4-dichlorophenyl)methyl pyridine-4-carboxylate has a molecular weight of 282.13 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl pyridine-4-carboxylate is sourced from PubChem (CID 1094797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).