6,8-dichloroquinoline-2-carboxylic acid

C10H5Cl2NO2 — CID 82243861

IUPAC6,8-dichloroquinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-8(10(14)15)13-9(5)7(12)4-6/h1-4H,(H,14,15)
InChIKeyLRSUJHRMCRMUAA-UHFFFAOYSA-N
MW242.06 g/mol
LogP3.24
Rot. Bonds1

About 6,8-dichloroquinoline-2-carboxylic acid

6,8-dichloroquinoline-2-carboxylic acid (PubChem CID 82243861) has the molecular formula C10H5Cl2NO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 6,8-dichloroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6,8-dichloroquinoline-2-carboxylic acid
PubChem CID82243861
Molecular FormulaC10H5Cl2NO2
Molecular Weight242.06 g/mol
Exact Mass240.97
IUPAC Name6,8-dichloroquinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-8(10(14)15)13-9(5)7(12)4-6/h1-4H,(H,14,15)
InChIKeyLRSUJHRMCRMUAA-UHFFFAOYSA-N
XLogP3.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloroquinoline-2-carboxylic acid?
The IUPAC name of 6,8-dichloroquinoline-2-carboxylic acid (CID 82243861) is 6,8-dichloroquinoline-2-carboxylic acid.
What is the SMILES notation for 6,8-dichloroquinoline-2-carboxylic acid?
The canonical SMILES for 6,8-dichloroquinoline-2-carboxylic acid is O=C(O)c1ccc2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of 6,8-dichloroquinoline-2-carboxylic acid?
The InChIKey is LRSUJHRMCRMUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-8(10(14)15)13-9(5)7(12)4-6/h1-4H,(H,14,15).
What are the key properties of 6,8-dichloroquinoline-2-carboxylic acid?
6,8-dichloroquinoline-2-carboxylic acid has a molecular weight of 242.06 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloroquinoline-2-carboxylic acid is sourced from PubChem (CID 82243861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).