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

C16H11ClN4O3 — CID 135607948

IUPAC1-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1/C=N/c1ccccn1
InChIInChI=1S/C16H11ClN4O3/c17-10-4-6-11(7-5-10)21-15(23)12(14(22)20-16(21)24)9-19-13-3-1-2-8-18-13/h1-9,23H,(H,20,22,24)/b19-9+
InChIKeyBPGBHPJAFJMOQY-DJKKODMXSA-N
MW342.74 g/mol
LogP2.03
Rot. Bonds3

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

1-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione (PubChem CID 135607948) has the molecular formula C16H11ClN4O3 and a molecular weight of 342.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione
PubChem CID135607948
Molecular FormulaC16H11ClN4O3
Molecular Weight342.74 g/mol
Exact Mass342.05
IUPAC Name1-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1/C=N/c1ccccn1
InChIInChI=1S/C16H11ClN4O3/c17-10-4-6-11(7-5-10)21-15(23)12(14(22)20-16(21)24)9-19-13-3-1-2-8-18-13/h1-9,23H,(H,20,22,24)/b19-9+
InChIKeyBPGBHPJAFJMOQY-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

CID 769416
CID 769416
CID 790715
CID 790715
CID 11176490
CID 11176490
CID 11222319
CID 11222319
CID 11234438
CID 11234438
CID 11268050
CID 11268050
CID 11474026
CID 11474026
CID 750184
CID 750184
CID 564990
CID 564990
CID 4569071
CID 4569071
CID 1397904
CID 1397904
CID 57799952
CID 57799952

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione (CID 135607948) is 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1/C=N/c1ccccn1.
What is the InChIKey of 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione?
The InChIKey is BPGBHPJAFJMOQY-DJKKODMXSA-N. The full InChI is InChI=1S/C16H11ClN4O3/c17-10-4-6-11(7-5-10)21-15(23)12(14(22)20-16(21)24)9-19-13-3-1-2-8-18-13/h1-9,23H,(H,20,22,24)/b19-9+.
What are the key properties of 1-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione?
1-(4-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-(4-chlorophenyl)-6-hydroxy-5-[(E)-pyridin-2-yliminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 135607948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).