[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate

C11H10Cl2N2O3 — CID 7863291

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O3/c12-7-3-8(13)10(14-4-7)15-9(16)5-18-11(17)6-1-2-6/h3-4,6H,1-2,5H2,(H,14,15,16)
InChIKeyXAPOCNVIQHYEPX-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.28
Rot. Bonds4

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 7863291) has the molecular formula C11H10Cl2N2O3 and a molecular weight of 289.12 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID7863291
Molecular FormulaC11H10Cl2N2O3
Molecular Weight289.12 g/mol
Exact Mass288.01
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O3/c12-7-3-8(13)10(14-4-7)15-9(16)5-18-11(17)6-1-2-6/h3-4,6H,1-2,5H2,(H,14,15,16)
InChIKeyXAPOCNVIQHYEPX-UHFFFAOYSA-N
XLogP2.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate 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-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate (CID 7863291) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is XAPOCNVIQHYEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O3/c12-7-3-8(13)10(14-4-7)15-9(16)5-18-11(17)6-1-2-6/h3-4,6H,1-2,5H2,(H,14,15,16).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 289.12 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 7863291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).