5-hydroxy-2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid

C11H8N2O5 — CID 135410230

IUPAC5-hydroxy-2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2cccc(O)c2)[nH]c(=O)c1O
InChIInChI=1S/C11H8N2O5/c14-6-3-1-2-5(4-6)9-12-7(11(17)18)8(15)10(16)13-9/h1-4,14-15H,(H,17,18)(H,12,13,16)
InChIKeyIUNIIGJVJCSRMN-UHFFFAOYSA-N
MW248.19 g/mol
LogP0.55
Rot. Bonds2

About 5-hydroxy-2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid

5-hydroxy-2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135410230) has the molecular formula C11H8N2O5 and a molecular weight of 248.19 g/mol. Its IUPAC name is 5-hydroxy-2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135410230
Molecular FormulaC11H8N2O5
Molecular Weight248.19 g/mol
Exact Mass248.04
IUPAC Name5-hydroxy-2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2cccc(O)c2)[nH]c(=O)c1O
InChIInChI=1S/C11H8N2O5/c14-6-3-1-2-5(4-6)9-12-7(11(17)18)8(15)10(16)13-9/h1-4,14-15H,(H,17,18)(H,12,13,16)
InChIKeyIUNIIGJVJCSRMN-UHFFFAOYSA-N
XLogP0.55
TPSA123.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-Hydroxy-6-oxo-2-phenyl-3,6-dihydropyrimidine-4-carboxylic acid
CID 135406878
2-(2-Hydroxyphenyl)-6-methyl-4-pyrimidinol
CID 135421721
5-Hydroxy-2-(3-hydroxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
CID 54704161
2-(3-Benzyloxyphenyl)-5,6-dihydroxy-pyrimidine-4-carboxylic acid
CID 135434352
5-hydroxy-2-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 168294724
2-(3-Hydroxyphenyl)pyrimidine-4,5-diol
CID 6096788
methyl 5-hydroxy-2-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate
CID 168285771
2-(3-Hydroxyphenyl)-3,4-dihydropyrimidin-4-one
CID 43654653
5,6-Dihydroxy-2-(2-hydroxyphenyl)pyrimidine-4-carboxylic acid
CID 135434259
2-[3-(3-Cyanopropoxy)phenyl]-5,6-dihydroxypyrimidine-4-carboxylic acid
CID 135434351
5,6-Dihydroxy-2-(3-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 135434362
2-(3-fluoro-5-hydroxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113522043

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135410230) is 5-hydroxy-2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2cccc(O)c2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is IUNIIGJVJCSRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O5/c14-6-3-1-2-5(4-6)9-12-7(11(17)18)8(15)10(16)13-9/h1-4,14-15H,(H,17,18)(H,12,13,16).
What are the key properties of 5-hydroxy-2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 248.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135410230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).