5-bromo-8-iodoquinoline-2-carboxylic acid

C10H5BrINO2 — CID 127018840

IUPAC5-bromo-8-iodoquinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2c(Br)ccc(I)c2n1
InChIInChI=1S/C10H5BrINO2/c11-6-2-3-7(12)9-5(6)1-4-8(13-9)10(14)15/h1-4H,(H,14,15)
InChIKeyXINOUAQBUQJXOE-UHFFFAOYSA-N
MW377.96 g/mol
LogP3.30
Rot. Bonds1

About 5-bromo-8-iodoquinoline-2-carboxylic acid

5-bromo-8-iodoquinoline-2-carboxylic acid (PubChem CID 127018840) has the molecular formula C10H5BrINO2 and a molecular weight of 377.96 g/mol. Its IUPAC name is 5-bromo-8-iodoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-8-iodoquinoline-2-carboxylic acid
PubChem CID127018840
Molecular FormulaC10H5BrINO2
Molecular Weight377.96 g/mol
Exact Mass376.85
IUPAC Name5-bromo-8-iodoquinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2c(Br)ccc(I)c2n1
InChIInChI=1S/C10H5BrINO2/c11-6-2-3-7(12)9-5(6)1-4-8(13-9)10(14)15/h1-4H,(H,14,15)
InChIKeyXINOUAQBUQJXOE-UHFFFAOYSA-N
XLogP3.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.96
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

8-bromo-5-chloroquinoline-2-carboxylic acid
CID 102941522
8-bromo-5-fluoroquinoline-2-carboxylic acid
CID 68601146
benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid
CID 161453399
5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130851869
8-bromo-7-fluoroquinoline-2-carboxylic acid
CID 97036795
5-chloro-8-hydroxyquinoline-2-carboxylic acid
CID 22044547
5,8-dibromo-4-chloroquinoline-2-carboxylic acid
CID 63376797
4-bromo-7-iodo-1-benzothiophene-2-carboxylic acid
CID 131192770
2-amino-6-bromo-3-iodobenzoic acid
CID 177369050
7-amino-8-fluoroquinoline-2-carboxylic acid
CID 90690862
quinoline-2,8-dicarboxylic acid
CID 19033995
6-bromo-8-ethylquinoline-2-carboxylic acid
CID 102941526

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-iodoquinoline-2-carboxylic acid?
The IUPAC name of 5-bromo-8-iodoquinoline-2-carboxylic acid (CID 127018840) is 5-bromo-8-iodoquinoline-2-carboxylic acid.
What is the SMILES notation for 5-bromo-8-iodoquinoline-2-carboxylic acid?
The canonical SMILES for 5-bromo-8-iodoquinoline-2-carboxylic acid is O=C(O)c1ccc2c(Br)ccc(I)c2n1.
What is the InChIKey of 5-bromo-8-iodoquinoline-2-carboxylic acid?
The InChIKey is XINOUAQBUQJXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrINO2/c11-6-2-3-7(12)9-5(6)1-4-8(13-9)10(14)15/h1-4H,(H,14,15).
What are the key properties of 5-bromo-8-iodoquinoline-2-carboxylic acid?
5-bromo-8-iodoquinoline-2-carboxylic acid has a molecular weight of 377.96 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-iodoquinoline-2-carboxylic acid is sourced from PubChem (CID 127018840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).