[2-(3,5-dichlorophenoxy)-3-pyridinyl] 3-methoxyprop-2-enoate

C15H11Cl2NO4 — CID 67279459

IUPAC[2-(3,5-dichlorophenoxy)-3-pyridinyl] 3-methoxyprop-2-enoate
SMILESCOC=CC(=O)Oc1cccnc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl2NO4/c1-20-6-4-14(19)22-13-3-2-5-18-15(13)21-12-8-10(16)7-11(17)9-12/h2-9H,1H3
InChIKeyNEHVYGRCQNKASR-UHFFFAOYSA-N
MW340.16 g/mol
LogP4.25
Rot. Bonds5

About [2-(3,5-dichlorophenoxy)-3-pyridinyl] 3-methoxyprop-2-enoate

[2-(3,5-dichlorophenoxy)-3-pyridinyl] 3-methoxyprop-2-enoate (PubChem CID 67279459) has the molecular formula C15H11Cl2NO4 and a molecular weight of 340.16 g/mol. Its IUPAC name is [2-(3,5-dichlorophenoxy)-3-pyridinyl] 3-methoxyprop-2-enoate.

Molecular Properties

Compound Name[2-(3,5-dichlorophenoxy)-3-pyridinyl] 3-methoxyprop-2-enoate
PubChem CID67279459
Molecular FormulaC15H11Cl2NO4
Molecular Weight340.16 g/mol
Exact Mass339.01
IUPAC Name[2-(3,5-dichlorophenoxy)-3-pyridinyl] 3-methoxyprop-2-enoate
SMILESCOC=CC(=O)Oc1cccnc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl2NO4/c1-20-6-4-14(19)22-13-3-2-5-18-15(13)21-12-8-10(16)7-11(17)9-12/h2-9H,1H3
InChIKeyNEHVYGRCQNKASR-UHFFFAOYSA-N
XLogP4.25
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-(3,5-dichlorophenoxy)-3-pyridinyl] 3-methoxyprop-2-enoate 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-(3,5-dichlorophenoxy)-3-pyridinyl] 3-methoxyprop-2-enoate?
The IUPAC name of [2-(3,5-dichlorophenoxy)-3-pyridinyl] 3-methoxyprop-2-enoate (CID 67279459) is [2-(3,5-dichlorophenoxy)-3-pyridinyl] 3-methoxyprop-2-enoate.
What is the SMILES notation for [2-(3,5-dichlorophenoxy)-3-pyridinyl] 3-methoxyprop-2-enoate?
The canonical SMILES for [2-(3,5-dichlorophenoxy)-3-pyridinyl] 3-methoxyprop-2-enoate is COC=CC(=O)Oc1cccnc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of [2-(3,5-dichlorophenoxy)-3-pyridinyl] 3-methoxyprop-2-enoate?
The InChIKey is NEHVYGRCQNKASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO4/c1-20-6-4-14(19)22-13-3-2-5-18-15(13)21-12-8-10(16)7-11(17)9-12/h2-9H,1H3.
What are the key properties of [2-(3,5-dichlorophenoxy)-3-pyridinyl] 3-methoxyprop-2-enoate?
[2-(3,5-dichlorophenoxy)-3-pyridinyl] 3-methoxyprop-2-enoate has a molecular weight of 340.16 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichlorophenoxy)-3-pyridinyl] 3-methoxyprop-2-enoate is sourced from PubChem (CID 67279459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).