4,5,8-trichloroquinoline-2-carboxylic acid

C10H4Cl3NO2 — CID 63376315

IUPAC4,5,8-trichloroquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2c(Cl)ccc(Cl)c2n1
InChIInChI=1S/C10H4Cl3NO2/c11-4-1-2-5(12)9-8(4)6(13)3-7(14-9)10(15)16/h1-3H,(H,15,16)
InChIKeyUDSPNPBFVJHFRC-UHFFFAOYSA-N
MW276.51 g/mol
LogP3.89
Rot. Bonds1

About 4,5,8-trichloroquinoline-2-carboxylic acid

4,5,8-trichloroquinoline-2-carboxylic acid (PubChem CID 63376315) has the molecular formula C10H4Cl3NO2 and a molecular weight of 276.51 g/mol. Its IUPAC name is 4,5,8-trichloroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4,5,8-trichloroquinoline-2-carboxylic acid
PubChem CID63376315
Molecular FormulaC10H4Cl3NO2
Molecular Weight276.51 g/mol
Exact Mass274.93
IUPAC Name4,5,8-trichloroquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2c(Cl)ccc(Cl)c2n1
InChIInChI=1S/C10H4Cl3NO2/c11-4-1-2-5(12)9-8(4)6(13)3-7(14-9)10(15)16/h1-3H,(H,15,16)
InChIKeyUDSPNPBFVJHFRC-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 4,5,8-trichloroquinoline-2-carboxylic acid?
The IUPAC name of 4,5,8-trichloroquinoline-2-carboxylic acid (CID 63376315) is 4,5,8-trichloroquinoline-2-carboxylic acid.
What is the SMILES notation for 4,5,8-trichloroquinoline-2-carboxylic acid?
The canonical SMILES for 4,5,8-trichloroquinoline-2-carboxylic acid is O=C(O)c1cc(Cl)c2c(Cl)ccc(Cl)c2n1.
What is the InChIKey of 4,5,8-trichloroquinoline-2-carboxylic acid?
The InChIKey is UDSPNPBFVJHFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl3NO2/c11-4-1-2-5(12)9-8(4)6(13)3-7(14-9)10(15)16/h1-3H,(H,15,16).
What are the key properties of 4,5,8-trichloroquinoline-2-carboxylic acid?
4,5,8-trichloroquinoline-2-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 4,5,8-trichloroquinoline-2-carboxylic acid is sourced from PubChem (CID 63376315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).