1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

C12H10ClN3O5 — CID 107812190

IUPAC1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)[nH]c1=O
InChIInChI=1S/C12H10ClN3O5/c1-2-7-10(17)14-12(19)15(11(7)18)6-3-4-8(13)9(5-6)16(20)21/h3-5,18H,2H2,1H3,(H,14,17,19)
InChIKeyMUIFVKRKEIWZLO-UHFFFAOYSA-N
MW311.68 g/mol
LogP1.36
Rot. Bonds3

About 1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 107812190) has the molecular formula C12H10ClN3O5 and a molecular weight of 311.68 g/mol. Its IUPAC name is 1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID107812190
Molecular FormulaC12H10ClN3O5
Molecular Weight311.68 g/mol
Exact Mass311.03
IUPAC Name1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)[nH]c1=O
InChIInChI=1S/C12H10ClN3O5/c1-2-7-10(17)14-12(19)15(11(7)18)6-3-4-8(13)9(5-6)16(20)21/h3-5,18H,2H2,1H3,(H,14,17,19)
InChIKeyMUIFVKRKEIWZLO-UHFFFAOYSA-N
XLogP1.36
TPSA118.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.68
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598961
5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 115946769
1-(4-chloro-3-nitrophenyl)-4-propylpiperazine
CID 22345152
1-(5-chloro-2-methoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946125
5-[(4-chloro-3-nitrophenyl)iminomethyl]-1-(2-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 137074698
1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115947480
1-(2-bromo-4-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598976
1,2-dichloro-3-ethyl-4-nitrobenzene
CID 66639996
1-(4-chloro-3-nitrophenyl)piperazine
CID 4738747
2-chloro-4-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile
CID 112599177
[1-(4-chloro-3-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674046
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-chloro-N-(2-methoxyethyl)-3-nitrobenzamide
CID 4847773

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (CID 107812190) is 1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(-c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is MUIFVKRKEIWZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O5/c1-2-7-10(17)14-12(19)15(11(7)18)6-3-4-8(13)9(5-6)16(20)21/h3-5,18H,2H2,1H3,(H,14,17,19).
What are the key properties of 1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 311.68 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 107812190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).