8-bromo-5-chloroquinoline-2-carboxylic acid

C10H5BrClNO2 — CID 102941522

IUPAC8-bromo-5-chloroquinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2c(Cl)ccc(Br)c2n1
InChIInChI=1S/C10H5BrClNO2/c11-6-2-3-7(12)5-1-4-8(10(14)15)13-9(5)6/h1-4H,(H,14,15)
InChIKeyNKBHUDODIDJPOY-UHFFFAOYSA-N
MW286.51 g/mol
LogP3.35
Rot. Bonds1

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

8-bromo-5-chloroquinoline-2-carboxylic acid (PubChem CID 102941522) has the molecular formula C10H5BrClNO2 and a molecular weight of 286.51 g/mol. Its IUPAC name is 8-bromo-5-chloroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-bromo-5-chloroquinoline-2-carboxylic acid
PubChem CID102941522
Molecular FormulaC10H5BrClNO2
Molecular Weight286.51 g/mol
Exact Mass284.92
IUPAC Name8-bromo-5-chloroquinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2c(Cl)ccc(Br)c2n1
InChIInChI=1S/C10H5BrClNO2/c11-6-2-3-7(12)5-1-4-8(10(14)15)13-9(5)6/h1-4H,(H,14,15)
InChIKeyNKBHUDODIDJPOY-UHFFFAOYSA-N
XLogP3.35
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-8-hydroxyquinoline-2-carboxylic acid
CID 22044547
8-bromo-5-fluoroquinoline-2-carboxylic acid
CID 68601146
5,8-dibromo-4-chloroquinoline-2-carboxylic acid
CID 63376797
5-bromo-8-iodoquinoline-2-carboxylic acid
CID 127018840
6,8-dichloroquinoline-2-carboxylic acid
CID 82243861
benzene;europium;1,10-phenanthroline-2,9-dicarboxylic acid
CID 161453399
methyl 8-bromo-4-chloroquinoline-2-carboxylate
CID 46739191
4,5,8-trichloroquinoline-2-carboxylic acid
CID 63376315
methyl 5-chloro-8-fluoroquinoline-2-carboxylate
CID 102941497
8-bromo-7-fluoroquinoline-2-carboxylic acid
CID 97036795
6-bromo-7-chloro-1H-indole-3-carboxylic acid
CID 178093253
5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid
CID 114407056

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-chloroquinoline-2-carboxylic acid?
The IUPAC name of 8-bromo-5-chloroquinoline-2-carboxylic acid (CID 102941522) is 8-bromo-5-chloroquinoline-2-carboxylic acid.
What is the SMILES notation for 8-bromo-5-chloroquinoline-2-carboxylic acid?
The canonical SMILES for 8-bromo-5-chloroquinoline-2-carboxylic acid is O=C(O)c1ccc2c(Cl)ccc(Br)c2n1.
What is the InChIKey of 8-bromo-5-chloroquinoline-2-carboxylic acid?
The InChIKey is NKBHUDODIDJPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClNO2/c11-6-2-3-7(12)5-1-4-8(10(14)15)13-9(5)6/h1-4H,(H,14,15).
What are the key properties of 8-bromo-5-chloroquinoline-2-carboxylic acid?
8-bromo-5-chloroquinoline-2-carboxylic acid has a molecular weight of 286.51 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-chloroquinoline-2-carboxylic acid is sourced from PubChem (CID 102941522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).