2-[(2E)-2-(3,5-dichloro-2-pyridinyl)-2-hydroxyiminoethyl]isoindole-1,3-dione

C15H9Cl2N3O3 — CID 136987063

IUPAC2-[(2E)-2-(3,5-dichloro-2-pyridinyl)-2-hydroxyiminoethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C/C(=N\O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2N3O3/c16-8-5-11(17)13(18-6-8)12(19-23)7-20-14(21)9-3-1-2-4-10(9)15(20)22/h1-6,23H,7H2/b19-12+
InChIKeySQIWKSQHCZSMKL-XDHOZWIPSA-N
MW350.16 g/mol
LogP2.86
Rot. Bonds3

About 2-[(2E)-2-(3,5-dichloro-2-pyridinyl)-2-hydroxyiminoethyl]isoindole-1,3-dione

2-[(2E)-2-(3,5-dichloro-2-pyridinyl)-2-hydroxyiminoethyl]isoindole-1,3-dione (PubChem CID 136987063) has the molecular formula C15H9Cl2N3O3 and a molecular weight of 350.16 g/mol. Its IUPAC name is 2-[(2E)-2-(3,5-dichloro-2-pyridinyl)-2-hydroxyiminoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2E)-2-(3,5-dichloro-2-pyridinyl)-2-hydroxyiminoethyl]isoindole-1,3-dione
PubChem CID136987063
Molecular FormulaC15H9Cl2N3O3
Molecular Weight350.16 g/mol
Exact Mass349.00
IUPAC Name2-[(2E)-2-(3,5-dichloro-2-pyridinyl)-2-hydroxyiminoethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C/C(=N\O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2N3O3/c16-8-5-11(17)13(18-6-8)12(19-23)7-20-14(21)9-3-1-2-4-10(9)15(20)22/h1-6,23H,7H2/b19-12+
InChIKeySQIWKSQHCZSMKL-XDHOZWIPSA-N
XLogP2.86
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-(3,5-dichloro-2-pyridinyl)-2-hydroxyiminoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2E)-2-(3,5-dichloro-2-pyridinyl)-2-hydroxyiminoethyl]isoindole-1,3-dione (CID 136987063) is 2-[(2E)-2-(3,5-dichloro-2-pyridinyl)-2-hydroxyiminoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2E)-2-(3,5-dichloro-2-pyridinyl)-2-hydroxyiminoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2E)-2-(3,5-dichloro-2-pyridinyl)-2-hydroxyiminoethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C/C(=N\O)c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-[(2E)-2-(3,5-dichloro-2-pyridinyl)-2-hydroxyiminoethyl]isoindole-1,3-dione?
The InChIKey is SQIWKSQHCZSMKL-XDHOZWIPSA-N. The full InChI is InChI=1S/C15H9Cl2N3O3/c16-8-5-11(17)13(18-6-8)12(19-23)7-20-14(21)9-3-1-2-4-10(9)15(20)22/h1-6,23H,7H2/b19-12+.
What are the key properties of 2-[(2E)-2-(3,5-dichloro-2-pyridinyl)-2-hydroxyiminoethyl]isoindole-1,3-dione?
2-[(2E)-2-(3,5-dichloro-2-pyridinyl)-2-hydroxyiminoethyl]isoindole-1,3-dione has a molecular weight of 350.16 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(3,5-dichloro-2-pyridinyl)-2-hydroxyiminoethyl]isoindole-1,3-dione is sourced from PubChem (CID 136987063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).