(3E)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione

C12H10N2O4 — CID 54683262

IUPAC(3E)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione
SMILESCO/N=C1/C(=O)NC(=O)C(c2ccccc2)=C1O
InChIInChI=1S/C12H10N2O4/c1-18-14-9-10(15)8(11(16)13-12(9)17)7-5-3-2-4-6-7/h2-6,15H,1H3,(H,13,16,17)/b14-9+
InChIKeyPOGQVLJELLCBGF-NTEUORMPSA-N
MW246.22 g/mol
LogP0.61
Rot. Bonds2

About (3E)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione

(3E)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione (PubChem CID 54683262) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is (3E)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione.

Molecular Properties

Compound Name(3E)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione
PubChem CID54683262
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name(3E)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione
SMILESCO/N=C1/C(=O)NC(=O)C(c2ccccc2)=C1O
InChIInChI=1S/C12H10N2O4/c1-18-14-9-10(15)8(11(16)13-12(9)17)7-5-3-2-4-6-7/h2-6,15H,1H3,(H,13,16,17)/b14-9+
InChIKeyPOGQVLJELLCBGF-NTEUORMPSA-N
XLogP0.61
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (3E)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione?
The IUPAC name of (3E)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione (CID 54683262) is (3E)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione.
What is the SMILES notation for (3E)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione?
The canonical SMILES for (3E)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione is CO/N=C1/C(=O)NC(=O)C(c2ccccc2)=C1O.
What is the InChIKey of (3E)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione?
The InChIKey is POGQVLJELLCBGF-NTEUORMPSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-18-14-9-10(15)8(11(16)13-12(9)17)7-5-3-2-4-6-7/h2-6,15H,1H3,(H,13,16,17)/b14-9+.
What are the key properties of (3E)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione?
(3E)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione has a molecular weight of 246.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione is sourced from PubChem (CID 54683262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).