5-[(3-chloro-4-fluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C11H7ClFN3O3 — CID 2265472

IUPAC5-[(3-chloro-4-fluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/c2ccc(F)c(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C11H7ClFN3O3/c12-7-3-5(1-2-8(7)13)14-4-6-9(17)15-11(19)16-10(6)18/h1-4H,(H3,15,16,17,18,19)/b14-4+
InChIKeyNERRGFWBPXMBRL-LNKIKWGQSA-N
MW283.65 g/mol
LogP1.31
Rot. Bonds2

About 5-[(3-chloro-4-fluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[(3-chloro-4-fluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 2265472) has the molecular formula C11H7ClFN3O3 and a molecular weight of 283.65 g/mol. Its IUPAC name is 5-[(3-chloro-4-fluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-chloro-4-fluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID2265472
Molecular FormulaC11H7ClFN3O3
Molecular Weight283.65 g/mol
Exact Mass283.02
IUPAC Name5-[(3-chloro-4-fluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/c2ccc(F)c(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C11H7ClFN3O3/c12-7-3-5(1-2-8(7)13)14-4-6-9(17)15-11(19)16-10(6)18/h1-4H,(H3,15,16,17,18,19)/b14-4+
InChIKeyNERRGFWBPXMBRL-LNKIKWGQSA-N
XLogP1.31
TPSA98.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.65
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-fluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3-chloro-4-fluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 2265472) is 5-[(3-chloro-4-fluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-chloro-4-fluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-chloro-4-fluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/C=N/c2ccc(F)c(Cl)c2)c(=O)[nH]1.
What is the InChIKey of 5-[(3-chloro-4-fluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is NERRGFWBPXMBRL-LNKIKWGQSA-N. The full InChI is InChI=1S/C11H7ClFN3O3/c12-7-3-5(1-2-8(7)13)14-4-6-9(17)15-11(19)16-10(6)18/h1-4H,(H3,15,16,17,18,19)/b14-4+.
What are the key properties of 5-[(3-chloro-4-fluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(3-chloro-4-fluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 283.65 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-fluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2265472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).