5,6,8-trifluoroquinoline-4-carboxylic acid

C10H4F3NO2 — CID 102941779

IUPAC5,6,8-trifluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2c(F)cc(F)c(F)c12
InChIInChI=1S/C10H4F3NO2/c11-5-3-6(12)9-7(8(5)13)4(10(15)16)1-2-14-9/h1-3H,(H,15,16)
InChIKeyIBPQHXQVOZDESW-UHFFFAOYSA-N
MW227.14 g/mol
LogP2.35
Rot. Bonds1

About 5,6,8-trifluoroquinoline-4-carboxylic acid

5,6,8-trifluoroquinoline-4-carboxylic acid (PubChem CID 102941779) has the molecular formula C10H4F3NO2 and a molecular weight of 227.14 g/mol. Its IUPAC name is 5,6,8-trifluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name5,6,8-trifluoroquinoline-4-carboxylic acid
PubChem CID102941779
Molecular FormulaC10H4F3NO2
Molecular Weight227.14 g/mol
Exact Mass227.02
IUPAC Name5,6,8-trifluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2c(F)cc(F)c(F)c12
InChIInChI=1S/C10H4F3NO2/c11-5-3-6(12)9-7(8(5)13)4(10(15)16)1-2-14-9/h1-3H,(H,15,16)
InChIKeyIBPQHXQVOZDESW-UHFFFAOYSA-N
XLogP2.35
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,8-trifluoroquinoline-4-carboxylic acid?
The IUPAC name of 5,6,8-trifluoroquinoline-4-carboxylic acid (CID 102941779) is 5,6,8-trifluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 5,6,8-trifluoroquinoline-4-carboxylic acid?
The canonical SMILES for 5,6,8-trifluoroquinoline-4-carboxylic acid is O=C(O)c1ccnc2c(F)cc(F)c(F)c12.
What is the InChIKey of 5,6,8-trifluoroquinoline-4-carboxylic acid?
The InChIKey is IBPQHXQVOZDESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F3NO2/c11-5-3-6(12)9-7(8(5)13)4(10(15)16)1-2-14-9/h1-3H,(H,15,16).
What are the key properties of 5,6,8-trifluoroquinoline-4-carboxylic acid?
5,6,8-trifluoroquinoline-4-carboxylic acid has a molecular weight of 227.14 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trifluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 102941779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).