(6Z)-6-benzylidene-3-(4-chlorophenyl)-4-hydroxypyridine-2,5-dione

C18H12ClNO3 — CID 54698843

IUPAC(6Z)-6-benzylidene-3-(4-chlorophenyl)-4-hydroxypyridine-2,5-dione
SMILESO=C1N/C(=C\c2ccccc2)C(=O)C(O)=C1c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClNO3/c19-13-8-6-12(7-9-13)15-17(22)16(21)14(20-18(15)23)10-11-4-2-1-3-5-11/h1-10,22H,(H,20,23)/b14-10-
InChIKeyPPRQIIGOFQZZRD-UVTDQMKNSA-N
MW325.75 g/mol
LogP3.35
Rot. Bonds2

About (6Z)-6-benzylidene-3-(4-chlorophenyl)-4-hydroxypyridine-2,5-dione

(6Z)-6-benzylidene-3-(4-chlorophenyl)-4-hydroxypyridine-2,5-dione (PubChem CID 54698843) has the molecular formula C18H12ClNO3 and a molecular weight of 325.75 g/mol. Its IUPAC name is (6Z)-6-benzylidene-3-(4-chlorophenyl)-4-hydroxypyridine-2,5-dione.

Molecular Properties

Compound Name(6Z)-6-benzylidene-3-(4-chlorophenyl)-4-hydroxypyridine-2,5-dione
PubChem CID54698843
Molecular FormulaC18H12ClNO3
Molecular Weight325.75 g/mol
Exact Mass325.05
IUPAC Name(6Z)-6-benzylidene-3-(4-chlorophenyl)-4-hydroxypyridine-2,5-dione
SMILESO=C1N/C(=C\c2ccccc2)C(=O)C(O)=C1c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClNO3/c19-13-8-6-12(7-9-13)15-17(22)16(21)14(20-18(15)23)10-11-4-2-1-3-5-11/h1-10,22H,(H,20,23)/b14-10-
InChIKeyPPRQIIGOFQZZRD-UVTDQMKNSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-benzylidene-3-(4-chlorophenyl)-4-hydroxypyridine-2,5-dione?
The IUPAC name of (6Z)-6-benzylidene-3-(4-chlorophenyl)-4-hydroxypyridine-2,5-dione (CID 54698843) is (6Z)-6-benzylidene-3-(4-chlorophenyl)-4-hydroxypyridine-2,5-dione.
What is the SMILES notation for (6Z)-6-benzylidene-3-(4-chlorophenyl)-4-hydroxypyridine-2,5-dione?
The canonical SMILES for (6Z)-6-benzylidene-3-(4-chlorophenyl)-4-hydroxypyridine-2,5-dione is O=C1N/C(=C\c2ccccc2)C(=O)C(O)=C1c1ccc(Cl)cc1.
What is the InChIKey of (6Z)-6-benzylidene-3-(4-chlorophenyl)-4-hydroxypyridine-2,5-dione?
The InChIKey is PPRQIIGOFQZZRD-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H12ClNO3/c19-13-8-6-12(7-9-13)15-17(22)16(21)14(20-18(15)23)10-11-4-2-1-3-5-11/h1-10,22H,(H,20,23)/b14-10-.
What are the key properties of (6Z)-6-benzylidene-3-(4-chlorophenyl)-4-hydroxypyridine-2,5-dione?
(6Z)-6-benzylidene-3-(4-chlorophenyl)-4-hydroxypyridine-2,5-dione has a molecular weight of 325.75 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-benzylidene-3-(4-chlorophenyl)-4-hydroxypyridine-2,5-dione is sourced from PubChem (CID 54698843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).