8-bromo-2-oxo-1H-quinoline-3-carboxylic acid

C10H6BrNO3 — CID 22690287

IUPAC8-bromo-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2cccc(Br)c2[nH]c1=O
InChIInChI=1S/C10H6BrNO3/c11-7-3-1-2-5-4-6(10(14)15)9(13)12-8(5)7/h1-4H,(H,12,13)(H,14,15)
InChIKeySUTWROISAFFCFV-UHFFFAOYSA-N
MW268.07 g/mol
LogP1.99
Rot. Bonds1

About 8-bromo-2-oxo-1H-quinoline-3-carboxylic acid

8-bromo-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 22690287) has the molecular formula C10H6BrNO3 and a molecular weight of 268.07 g/mol. Its IUPAC name is 8-bromo-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-bromo-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID22690287
Molecular FormulaC10H6BrNO3
Molecular Weight268.07 g/mol
Exact Mass266.95
IUPAC Name8-bromo-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2cccc(Br)c2[nH]c1=O
InChIInChI=1S/C10H6BrNO3/c11-7-3-1-2-5-4-6(10(14)15)9(13)12-8(5)7/h1-4H,(H,12,13)(H,14,15)
InChIKeySUTWROISAFFCFV-UHFFFAOYSA-N
XLogP1.99
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 8-bromo-2-oxo-1H-quinoline-3-carboxylic acid (CID 22690287) is 8-bromo-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 8-bromo-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 8-bromo-2-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1cc2cccc(Br)c2[nH]c1=O.
What is the InChIKey of 8-bromo-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is SUTWROISAFFCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO3/c11-7-3-1-2-5-4-6(10(14)15)9(13)12-8(5)7/h1-4H,(H,12,13)(H,14,15).
What are the key properties of 8-bromo-2-oxo-1H-quinoline-3-carboxylic acid?
8-bromo-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 268.07 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 22690287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).