5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid

C10H5Br2NO3 — CID 15182902

IUPAC5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2c(Br)cc(Br)cc2[nH]1
InChIInChI=1S/C10H5Br2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
InChIKeyQQKJUYOEHGDJPN-UHFFFAOYSA-N
MW346.96 g/mol
LogP2.75
Rot. Bonds1

About 5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid

5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 15182902) has the molecular formula C10H5Br2NO3 and a molecular weight of 346.96 g/mol. Its IUPAC name is 5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID15182902
Molecular FormulaC10H5Br2NO3
Molecular Weight346.96 g/mol
Exact Mass344.86
IUPAC Name5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2c(Br)cc(Br)cc2[nH]1
InChIInChI=1S/C10H5Br2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
InChIKeyQQKJUYOEHGDJPN-UHFFFAOYSA-N
XLogP2.75
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.96
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid (CID 15182902) is 5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2c(Br)cc(Br)cc2[nH]1.
What is the InChIKey of 5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is QQKJUYOEHGDJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16).
What are the key properties of 5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid?
5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 346.96 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 15182902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).