1-(3-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione

C16H11ClN4O3 — CID 135449499

IUPAC1-(3-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1/C=N/c1ccccn1
InChIInChI=1S/C16H11ClN4O3/c17-10-4-3-5-11(8-10)21-15(23)12(14(22)20-16(21)24)9-19-13-6-1-2-7-18-13/h1-9,23H,(H,20,22,24)/b19-9+
InChIKeyGXDHEXWWCZQNIQ-DJKKODMXSA-N
MW342.74 g/mol
LogP2.03
Rot. Bonds3

About 1-(3-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione

1-(3-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione (PubChem CID 135449499) has the molecular formula C16H11ClN4O3 and a molecular weight of 342.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione
PubChem CID135449499
Molecular FormulaC16H11ClN4O3
Molecular Weight342.74 g/mol
Exact Mass342.05
IUPAC Name1-(3-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1/C=N/c1ccccn1
InChIInChI=1S/C16H11ClN4O3/c17-10-4-3-5-11(8-10)21-15(23)12(14(22)20-16(21)24)9-19-13-6-1-2-7-18-13/h1-9,23H,(H,20,22,24)/b19-9+
InChIKeyGXDHEXWWCZQNIQ-DJKKODMXSA-N
XLogP2.03
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-Chlorophenyl)-N'-(2-pyridinyl)urea
CID 769416
1-(3-Chlorophenyl)-3-(3-methylpyridin-2-yl)urea
CID 836690
N-(4-Chloro-2-fluorophenyl)-1-(3-chloropyridin-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 11222319
1-(3-Chloropyridin-2-yl)-N-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 11234438
N-(4-Chlorophenyl)-1-(3-chloropyridin-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 11268050
N-(4-Chloro-3-fluorophenyl)-1-(3-chloropyridin-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 11474026
N-(3-Chlorophenyl)-N'-(2-pyridinyl)urea
CID 564990
1-(3-Chloropropyl)-5-[[(2-chloro-3-pyridinyl)amino]methylidene]-3-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 4569071
N-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-2-pyridinyl]prop-2-enamide
CID 145949428
N-(3-chlorophenyl)-1-(3-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 145963623
1-(4-Chloro-phenyl)-5-[1-[(pyridin-3-ylmethyl)-amino]-eth-(E)-ylidene]-pyrimidine-2,4,6-trione
CID 1397904
N-(3-chlorophenyl)-N'-(5-chloro-2-pyridinyl)urea
CID 878385

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(3-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione (CID 135449499) is 1-(3-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1/C=N/c1ccccn1.
What is the InChIKey of 1-(3-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione?
The InChIKey is GXDHEXWWCZQNIQ-DJKKODMXSA-N. The full InChI is InChI=1S/C16H11ClN4O3/c17-10-4-3-5-11(8-10)21-15(23)12(14(22)20-16(21)24)9-19-13-6-1-2-7-18-13/h1-9,23H,(H,20,22,24)/b19-9+.
What are the key properties of 1-(3-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione?
1-(3-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione has a molecular weight of 342.74 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135449499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).