5-[(5-bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

C19H11BrFN3O3 — CID 1399226

IUPAC5-[(5-bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1C=C1C=Nc2ccc(Br)cc21
InChIInChI=1S/C19H11BrFN3O3/c20-11-5-6-15-12(8-11)10(9-22-15)7-13-17(25)23-19(27)24(18(13)26)16-4-2-1-3-14(16)21/h1-9,26H,(H,23,25,27)
InChIKeyOWWNJRFIFLBYKU-UHFFFAOYSA-N
MW428.22 g/mol
LogP3.39
Rot. Bonds2

About 5-[(5-bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione

5-[(5-bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 1399226) has the molecular formula C19H11BrFN3O3 and a molecular weight of 428.22 g/mol. Its IUPAC name is 5-[(5-bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID1399226
Molecular FormulaC19H11BrFN3O3
Molecular Weight428.22 g/mol
Exact Mass427.00
IUPAC Name5-[(5-bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1C=C1C=Nc2ccc(Br)cc21
InChIInChI=1S/C19H11BrFN3O3/c20-11-5-6-15-12(8-11)10(9-22-15)7-13-17(25)23-19(27)24(18(13)26)16-4-2-1-3-14(16)21/h1-9,26H,(H,23,25,27)
InChIKeyOWWNJRFIFLBYKU-UHFFFAOYSA-N
XLogP3.39
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.22
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5E)-1-(4-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135469945
(5Z)-5-(1H-indol-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
CID 135458887
(5E)-1-(3-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135458290
5-[(5-bromo-1H-indol-3-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 135451191
(5E)-1-(2-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135451179
5-[(5-Bromoindol-3-ylidene)methyl]-1-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 1987522
1-(4-Fluorophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 4299198
5-[(5-Bromoindol-3-ylidene)methyl]-1-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 4625058
1-(3-Bromophenyl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 1347288
1-[(4-Fluorophenyl)methyl]-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 1356682
(5Z)-1-(4-bromophenyl)-5-(1H-indol-3-ylmethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 135414107
(5E)-1-(2-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
CID 135420924

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[(5-bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione (CID 1399226) is 5-[(5-bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[(5-bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[(5-bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1C=C1C=Nc2ccc(Br)cc21.
What is the InChIKey of 5-[(5-bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is OWWNJRFIFLBYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrFN3O3/c20-11-5-6-15-12(8-11)10(9-22-15)7-13-17(25)23-19(27)24(18(13)26)16-4-2-1-3-14(16)21/h1-9,26H,(H,23,25,27).
What are the key properties of 5-[(5-bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione?
5-[(5-bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 428.22 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromoindol-3-ylidene)methyl]-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 1399226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).