1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione

C11H8ClFN2O4 — CID 112598991

IUPAC1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(F)c(=O)[nH]c2=O)cc1Cl
InChIInChI=1S/C11H8ClFN2O4/c1-19-7-3-2-5(4-6(7)12)15-10(17)8(13)9(16)14-11(15)18/h2-4,17H,1H3,(H,14,16,18)
InChIKeyJWVNIMOKWNGDEZ-UHFFFAOYSA-N
MW286.65 g/mol
LogP1.03
Rot. Bonds2

About 1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione

1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 112598991) has the molecular formula C11H8ClFN2O4 and a molecular weight of 286.65 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID112598991
Molecular FormulaC11H8ClFN2O4
Molecular Weight286.65 g/mol
Exact Mass286.02
IUPAC Name1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(F)c(=O)[nH]c2=O)cc1Cl
InChIInChI=1S/C11H8ClFN2O4/c1-19-7-3-2-5(4-6(7)12)15-10(17)8(13)9(16)14-11(15)18/h2-4,17H,1H3,(H,14,16,18)
InChIKeyJWVNIMOKWNGDEZ-UHFFFAOYSA-N
XLogP1.03
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.65
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
2-chloro-4-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile
CID 112599177
1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598353
5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 115946769
5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
CID 112599156
5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112601269
1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600912
5-[(3-chloro-4-methoxyphenyl)iminomethyl]-1-(4-fluorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 135840075
1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599046
1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 107795625
2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile
CID 112600343
1-(5-chloro-2-methoxyphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598854

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 112598991) is 1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is COc1ccc(-n2c(O)c(F)c(=O)[nH]c2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is JWVNIMOKWNGDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O4/c1-19-7-3-2-5(4-6(7)12)15-10(17)8(13)9(16)14-11(15)18/h2-4,17H,1H3,(H,14,16,18).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 286.65 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112598991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).