5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione

C17H10Cl2N4O5 — CID 137074698

IUPAC5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2Cl)c(O)c1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H10Cl2N4O5/c18-11-3-1-2-4-13(11)22-16(25)10(15(24)21-17(22)26)8-20-9-5-6-12(19)14(7-9)23(27)28/h1-8,25H,(H,21,24,26)/b20-8+
InChIKeyLWOBISKFTQTOMD-DNTJNYDQSA-N
MW421.20 g/mol
LogP3.20
Rot. Bonds4

About 5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione

5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 137074698) has the molecular formula C17H10Cl2N4O5 and a molecular weight of 421.20 g/mol. Its IUPAC name is 5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID137074698
Molecular FormulaC17H10Cl2N4O5
Molecular Weight421.20 g/mol
Exact Mass420.00
IUPAC Name5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2Cl)c(O)c1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H10Cl2N4O5/c18-11-3-1-2-4-13(11)22-16(25)10(15(24)21-17(22)26)8-20-9-5-6-12(19)14(7-9)23(27)28/h1-8,25H,(H,21,24,26)/b20-8+
InChIKeyLWOBISKFTQTOMD-DNTJNYDQSA-N
XLogP3.20
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.20
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 137075008
5-[(4-chlorophenyl)iminomethyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 1379774
1-(2-chlorophenyl)-6-hydroxy-5-[(E)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]pyrimidine-2,4-dione
CID 135749674
[(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea
CID 135717075
1-(2-chlorophenyl)-6-hydroxy-5-[(2-hydroxyethylhydrazinylidene)methyl]pyrimidine-2,4-dione
CID 4288914
6-hydroxy-1-(4-methoxyphenyl)-5-[(3-methyl-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione
CID 137070827
1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 1379781
1-(2-chlorophenyl)-5-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-hydroxypyrimidine-2,4-dione
CID 137073853
methyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
CID 135628465
2-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
CID 135830794
4-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzenesulfonamide
CID 3119695
1-(3-chlorophenyl)-6-hydroxy-5-[(2-methylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 4583946

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione (CID 137074698) is 5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccccc2Cl)c(O)c1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is LWOBISKFTQTOMD-DNTJNYDQSA-N. The full InChI is InChI=1S/C17H10Cl2N4O5/c18-11-3-1-2-4-13(11)22-16(25)10(15(24)21-17(22)26)8-20-9-5-6-12(19)14(7-9)23(27)28/h1-8,25H,(H,21,24,26)/b20-8+.
What are the key properties of 5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione?
5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 421.20 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 137074698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).