6-bromo-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid

C10H6BrNO4 — CID 54726740

IUPAC6-bromo-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c(O)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C10H6BrNO4/c11-4-1-2-6-5(3-4)8(13)7(10(15)16)9(14)12-6/h1-3H,(H,15,16)(H2,12,13,14)
InChIKeyRFHPWIQBXFFEQX-UHFFFAOYSA-N
MW284.07 g/mol
LogP1.69
Rot. Bonds1

About 6-bromo-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid

6-bromo-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 54726740) has the molecular formula C10H6BrNO4 and a molecular weight of 284.07 g/mol. Its IUPAC name is 6-bromo-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID54726740
Molecular FormulaC10H6BrNO4
Molecular Weight284.07 g/mol
Exact Mass282.95
IUPAC Name6-bromo-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c(O)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C10H6BrNO4/c11-4-1-2-6-5(3-4)8(13)7(10(15)16)9(14)12-6/h1-3H,(H,15,16)(H2,12,13,14)
InChIKeyRFHPWIQBXFFEQX-UHFFFAOYSA-N
XLogP1.69
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-bromo-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid (CID 54726740) is 6-bromo-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-bromo-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-bromo-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c(O)c2cc(Br)ccc2[nH]c1=O.
What is the InChIKey of 6-bromo-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is RFHPWIQBXFFEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO4/c11-4-1-2-6-5(3-4)8(13)7(10(15)16)9(14)12-6/h1-3H,(H,15,16)(H2,12,13,14).
What are the key properties of 6-bromo-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid?
6-bromo-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 284.07 g/mol, XLogP of 1.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 54726740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).