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

C11H7ClN2O4 — CID 135434387

IUPAC2-(4-chlorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)cc2)[nH]c(=O)c1O
InChIInChI=1S/C11H7ClN2O4/c12-6-3-1-5(2-4-6)9-13-7(11(17)18)8(15)10(16)14-9/h1-4,15H,(H,17,18)(H,13,14,16)
InChIKeyXNDKQQKHTBDWNQ-UHFFFAOYSA-N
MW266.64 g/mol
LogP1.49
Rot. Bonds2

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

2-(4-chlorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434387) has the molecular formula C11H7ClN2O4 and a molecular weight of 266.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434387
Molecular FormulaC11H7ClN2O4
Molecular Weight266.64 g/mol
Exact Mass266.01
IUPAC Name2-(4-chlorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)cc2)[nH]c(=O)c1O
InChIInChI=1S/C11H7ClN2O4/c12-6-3-1-5(2-4-6)9-13-7(11(17)18)8(15)10(16)14-9/h1-4,15H,(H,17,18)(H,13,14,16)
InChIKeyXNDKQQKHTBDWNQ-UHFFFAOYSA-N
XLogP1.49
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-Dichlorobenzyl)-5,6-Dihydroxypyrimidine-4-Carboxylic Acid
CID 135566479
5-Hydroxy-6-oxo-2-phenyl-3,6-dihydropyrimidine-4-carboxylic acid
CID 135406878
Methyl 5-hydroxy-6-oxo-2-phenyl-3,6-dihydropyrimidine-4-carboxylate
CID 135483599
2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 168279888
5,6-Dihydroxy-2-(p-tolyl)pyrimidine-4-carboxylic acid
CID 135434386
2-[(4-Chlorophenyl)methyl]-5,6-dihydroxy-pyrimidine-4-carboxylic acid
CID 137314859
2-(3-Chloro-4-methyl-phenyl)-5,6-dihydroxy-pyrimidine-4-carboxylic acid
CID 137314863
2-[(2,4-dichlorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 168291350
5,6-Dihydroxy-2-(m-tolyl)pyrimidine-4-carboxylic acid
CID 135434358
Methyl 2-(4-chlorophenyl)-5,6-dihydroxy-pyrimidine-4-carboxylate
CID 135435179
methyl 2-[(4-chlorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
CID 141295068
2-(4-Chlorophenyl)-6-hydroxypyrimidine-4-carboxylic acid
CID 135878882

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434387) is 2-(4-chlorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2ccc(Cl)cc2)[nH]c(=O)c1O.
What is the InChIKey of 2-(4-chlorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is XNDKQQKHTBDWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O4/c12-6-3-1-5(2-4-6)9-13-7(11(17)18)8(15)10(16)14-9/h1-4,15H,(H,17,18)(H,13,14,16).
What are the key properties of 2-(4-chlorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
2-(4-chlorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 266.64 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).