5-bromoquinoline-2,4-dicarboxylic acid

C11H6BrNO4 — CID 10880975

IUPAC5-bromoquinoline-2,4-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c2c(Br)cccc2n1
InChIInChI=1S/C11H6BrNO4/c12-6-2-1-3-7-9(6)5(10(14)15)4-8(13-7)11(16)17/h1-4H,(H,14,15)(H,16,17)
InChIKeyVBFUERZTGAQXLR-UHFFFAOYSA-N
MW296.08 g/mol
LogP2.39
Rot. Bonds2

About 5-bromoquinoline-2,4-dicarboxylic acid

5-bromoquinoline-2,4-dicarboxylic acid (PubChem CID 10880975) has the molecular formula C11H6BrNO4 and a molecular weight of 296.08 g/mol. Its IUPAC name is 5-bromoquinoline-2,4-dicarboxylic acid.

Molecular Properties

Compound Name5-bromoquinoline-2,4-dicarboxylic acid
PubChem CID10880975
Molecular FormulaC11H6BrNO4
Molecular Weight296.08 g/mol
Exact Mass294.95
IUPAC Name5-bromoquinoline-2,4-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c2c(Br)cccc2n1
InChIInChI=1S/C11H6BrNO4/c12-6-2-1-3-7-9(6)5(10(14)15)4-8(13-7)11(16)17/h1-4H,(H,14,15)(H,16,17)
InChIKeyVBFUERZTGAQXLR-UHFFFAOYSA-N
XLogP2.39
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.08
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromoquinoline-2,4-dicarboxylic acid?
The IUPAC name of 5-bromoquinoline-2,4-dicarboxylic acid (CID 10880975) is 5-bromoquinoline-2,4-dicarboxylic acid.
What is the SMILES notation for 5-bromoquinoline-2,4-dicarboxylic acid?
The canonical SMILES for 5-bromoquinoline-2,4-dicarboxylic acid is O=C(O)c1cc(C(=O)O)c2c(Br)cccc2n1.
What is the InChIKey of 5-bromoquinoline-2,4-dicarboxylic acid?
The InChIKey is VBFUERZTGAQXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrNO4/c12-6-2-1-3-7-9(6)5(10(14)15)4-8(13-7)11(16)17/h1-4H,(H,14,15)(H,16,17).
What are the key properties of 5-bromoquinoline-2,4-dicarboxylic acid?
5-bromoquinoline-2,4-dicarboxylic acid has a molecular weight of 296.08 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromoquinoline-2,4-dicarboxylic acid is sourced from PubChem (CID 10880975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).