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

C11H8N2O4S — CID 102109161

IUPAC6-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2O)[nH]c(=S)[nH]c1=O
InChIInChI=1S/C11H8N2O4S/c14-6-4-2-1-3-5(6)8-7(10(16)17)9(15)13-11(18)12-8/h1-4,14H,(H,16,17)(H2,12,13,15,18)
InChIKeyQLNXFVHSWOTJPC-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.50
Rot. Bonds2

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

6-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid (PubChem CID 102109161) has the molecular formula C11H8N2O4S and a molecular weight of 264.26 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid
PubChem CID102109161
Molecular FormulaC11H8N2O4S
Molecular Weight264.26 g/mol
Exact Mass264.02
IUPAC Name6-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2O)[nH]c(=S)[nH]c1=O
InChIInChI=1S/C11H8N2O4S/c14-6-4-2-1-3-5(6)8-7(10(16)17)9(15)13-11(18)12-8/h1-4,14H,(H,16,17)(H2,12,13,15,18)
InChIKeyQLNXFVHSWOTJPC-UHFFFAOYSA-N
XLogP1.50
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-hydroxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
CID 117224711
5-(2-methylphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
CID 82389747
2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
CID 134324247
3-(2-fluorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
CID 84687356
2-[3-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)phenyl]benzoic acid
CID 134433718
6-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide
CID 123970388
5-propan-2-yl-2-sulfanylidene-5,6-dihydro-1H-benzo[h]quinazolin-4-one
CID 2835304
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
5-(2-hydroxyphenyl)-6-methyl-1H-pyridin-2-one
CID 19874456
4-oxo-5-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-7-carboxylic acid
CID 50877113
5-(2-hydroxyphenyl)-2-methyl-3-sulfanylidene-1H-1,2,4-triazin-6-one
CID 165343905
5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 2836478

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid (CID 102109161) is 6-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid is O=C(O)c1c(-c2ccccc2O)[nH]c(=S)[nH]c1=O.
What is the InChIKey of 6-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid?
The InChIKey is QLNXFVHSWOTJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4S/c14-6-4-2-1-3-5(6)8-7(10(16)17)9(15)13-11(18)12-8/h1-4,14H,(H,16,17)(H2,12,13,15,18).
What are the key properties of 6-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid?
6-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid has a molecular weight of 264.26 g/mol, XLogP of 1.50, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 102109161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).