4,6,8-trichloroquinoline-3-carboxylic acid

C10H4Cl3NO2 — CID 86810509

IUPAC4,6,8-trichloroquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2c(Cl)cc(Cl)cc2c1Cl
InChIInChI=1S/C10H4Cl3NO2/c11-4-1-5-8(13)6(10(15)16)3-14-9(5)7(12)2-4/h1-3H,(H,15,16)
InChIKeyXAUCCNHSIDWTLS-UHFFFAOYSA-N
MW276.51 g/mol
LogP3.89
Rot. Bonds1

About 4,6,8-trichloroquinoline-3-carboxylic acid

4,6,8-trichloroquinoline-3-carboxylic acid (PubChem CID 86810509) has the molecular formula C10H4Cl3NO2 and a molecular weight of 276.51 g/mol. Its IUPAC name is 4,6,8-trichloroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4,6,8-trichloroquinoline-3-carboxylic acid
PubChem CID86810509
Molecular FormulaC10H4Cl3NO2
Molecular Weight276.51 g/mol
Exact Mass274.93
IUPAC Name4,6,8-trichloroquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2c(Cl)cc(Cl)cc2c1Cl
InChIInChI=1S/C10H4Cl3NO2/c11-4-1-5-8(13)6(10(15)16)3-14-9(5)7(12)2-4/h1-3H,(H,15,16)
InChIKeyXAUCCNHSIDWTLS-UHFFFAOYSA-N
XLogP3.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6,8-trichloroquinoline-3-carboxylic acid?
The IUPAC name of 4,6,8-trichloroquinoline-3-carboxylic acid (CID 86810509) is 4,6,8-trichloroquinoline-3-carboxylic acid.
What is the SMILES notation for 4,6,8-trichloroquinoline-3-carboxylic acid?
The canonical SMILES for 4,6,8-trichloroquinoline-3-carboxylic acid is O=C(O)c1cnc2c(Cl)cc(Cl)cc2c1Cl.
What is the InChIKey of 4,6,8-trichloroquinoline-3-carboxylic acid?
The InChIKey is XAUCCNHSIDWTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl3NO2/c11-4-1-5-8(13)6(10(15)16)3-14-9(5)7(12)2-4/h1-3H,(H,15,16).
What are the key properties of 4,6,8-trichloroquinoline-3-carboxylic acid?
4,6,8-trichloroquinoline-3-carboxylic acid has a molecular weight of 276.51 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trichloroquinoline-3-carboxylic acid is sourced from PubChem (CID 86810509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).