6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid

C12H7ClO5 — CID 15578402

IUPAC6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c(O)c(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H7ClO5/c13-7-3-1-6(2-4-7)11-10(15)8(14)5-9(18-11)12(16)17/h1-5,15H,(H,16,17)
InChIKeyFTPAJRUWXGIPBC-UHFFFAOYSA-N
MW266.64 g/mol
LogP2.36
Rot. Bonds2

About 6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid

6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid (PubChem CID 15578402) has the molecular formula C12H7ClO5 and a molecular weight of 266.64 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid
PubChem CID15578402
Molecular FormulaC12H7ClO5
Molecular Weight266.64 g/mol
Exact Mass266.00
IUPAC Name6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c(O)c(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H7ClO5/c13-7-3-1-6(2-4-7)11-10(15)8(14)5-9(18-11)12(16)17/h1-5,15H,(H,16,17)
InChIKeyFTPAJRUWXGIPBC-UHFFFAOYSA-N
XLogP2.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid?
The IUPAC name of 6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid (CID 15578402) is 6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid.
What is the SMILES notation for 6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid?
The canonical SMILES for 6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid is O=C(O)c1cc(=O)c(O)c(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid?
The InChIKey is FTPAJRUWXGIPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClO5/c13-7-3-1-6(2-4-7)11-10(15)8(14)5-9(18-11)12(16)17/h1-5,15H,(H,16,17).
What are the key properties of 6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid?
6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid has a molecular weight of 266.64 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid is sourced from PubChem (CID 15578402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).