[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate

C15H10Cl2N2O5 — CID 2375703

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
SMILESO=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2N2O5/c16-9-4-10(17)14(18-5-9)19-13(20)6-22-15(21)8-1-2-11-12(3-8)24-7-23-11/h1-5H,6-7H2,(H,18,19,20)
InChIKeyGVUMOPPHOUUATA-UHFFFAOYSA-N
MW369.16 g/mol
LogP2.91
Rot. Bonds4

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate (PubChem CID 2375703) has the molecular formula C15H10Cl2N2O5 and a molecular weight of 369.16 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
PubChem CID2375703
Molecular FormulaC15H10Cl2N2O5
Molecular Weight369.16 g/mol
Exact Mass368.00
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
SMILESO=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2N2O5/c16-9-4-10(17)14(18-5-9)19-13(20)6-22-15(21)8-1-2-11-12(3-8)24-7-23-11/h1-5H,6-7H2,(H,18,19,20)
InChIKeyGVUMOPPHOUUATA-UHFFFAOYSA-N
XLogP2.91
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.16
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate (CID 2375703) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate is O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate?
The InChIKey is GVUMOPPHOUUATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O5/c16-9-4-10(17)14(18-5-9)19-13(20)6-22-15(21)8-1-2-11-12(3-8)24-7-23-11/h1-5H,6-7H2,(H,18,19,20).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate has a molecular weight of 369.16 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate is sourced from PubChem (CID 2375703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).