(5Z)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione

C12H9ClN2O4 — CID 54712880

IUPAC(5Z)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione
SMILESCO/N=C1\C(=O)NC(=O)C(c2ccc(Cl)cc2)=C1O
InChIInChI=1S/C12H9ClN2O4/c1-19-15-9-10(16)8(11(17)14-12(9)18)6-2-4-7(13)5-3-6/h2-5,16H,1H3,(H,14,17,18)/b15-9-
InChIKeyPLSDKQRLIUVRMR-DHDCSXOGSA-N
MW280.67 g/mol
LogP1.27
Rot. Bonds2

About (5Z)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione

(5Z)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione (PubChem CID 54712880) has the molecular formula C12H9ClN2O4 and a molecular weight of 280.67 g/mol. Its IUPAC name is (5Z)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione.

Molecular Properties

Compound Name(5Z)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione
PubChem CID54712880
Molecular FormulaC12H9ClN2O4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC Name(5Z)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione
SMILESCO/N=C1\C(=O)NC(=O)C(c2ccc(Cl)cc2)=C1O
InChIInChI=1S/C12H9ClN2O4/c1-19-15-9-10(16)8(11(17)14-12(9)18)6-2-4-7(13)5-3-6/h2-5,16H,1H3,(H,14,17,18)/b15-9-
InChIKeyPLSDKQRLIUVRMR-DHDCSXOGSA-N
XLogP1.27
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 51.27
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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Related Compounds

5-(4-Chlorophenyl)-4-hydroxypyridine-2,3,6-trione
CID 54680720
(3E)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione
CID 54683262
(5E)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione
CID 54706690
(3Z)-4-hydroxy-3-methoxyimino-5-phenylpyridine-2,6-dione
CID 54712879

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione?
The IUPAC name of (5Z)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione (CID 54712880) is (5Z)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione.
What is the SMILES notation for (5Z)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione?
The canonical SMILES for (5Z)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione is CO/N=C1\C(=O)NC(=O)C(c2ccc(Cl)cc2)=C1O.
What is the InChIKey of (5Z)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione?
The InChIKey is PLSDKQRLIUVRMR-DHDCSXOGSA-N. The full InChI is InChI=1S/C12H9ClN2O4/c1-19-15-9-10(16)8(11(17)14-12(9)18)6-2-4-7(13)5-3-6/h2-5,16H,1H3,(H,14,17,18)/b15-9-.
What are the key properties of (5Z)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione?
(5Z)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione has a molecular weight of 280.67 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-chlorophenyl)-4-hydroxy-5-methoxyiminopyridine-2,6-dione is sourced from PubChem (CID 54712880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).