5-[3-(trifluoromethoxy)phenyl]benzo[c][2,6]naphthyridine-8-carboxylic acid

C20H11F3N2O3 — CID 57398530

IUPAC5-[3-(trifluoromethoxy)phenyl]benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(OC(F)(F)F)c1)c1ccncc12
InChIInChI=1S/C20H11F3N2O3/c21-20(22,23)28-13-3-1-2-11(8-13)18-15-6-7-24-10-16(15)14-5-4-12(19(26)27)9-17(14)25-18/h1-10H,(H,26,27)
InChIKeyKPPSBOLAABXXTF-UHFFFAOYSA-N
MW384.31 g/mol
LogP5.05
Rot. Bonds3

About 5-[3-(trifluoromethoxy)phenyl]benzo[c][2,6]naphthyridine-8-carboxylic acid

5-[3-(trifluoromethoxy)phenyl]benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 57398530) has the molecular formula C20H11F3N2O3 and a molecular weight of 384.31 g/mol. Its IUPAC name is 5-[3-(trifluoromethoxy)phenyl]benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-[3-(trifluoromethoxy)phenyl]benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID57398530
Molecular FormulaC20H11F3N2O3
Molecular Weight384.31 g/mol
Exact Mass384.07
IUPAC Name5-[3-(trifluoromethoxy)phenyl]benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(OC(F)(F)F)c1)c1ccncc12
InChIInChI=1S/C20H11F3N2O3/c21-20(22,23)28-13-3-1-2-11(8-13)18-15-6-7-24-10-16(15)14-5-4-12(19(26)27)9-17(14)25-18/h1-10H,(H,26,27)
InChIKeyKPPSBOLAABXXTF-UHFFFAOYSA-N
XLogP5.05
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.31
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethoxy)phenyl]benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-[3-(trifluoromethoxy)phenyl]benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 57398530) is 5-[3-(trifluoromethoxy)phenyl]benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-[3-(trifluoromethoxy)phenyl]benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-[3-(trifluoromethoxy)phenyl]benzo[c][2,6]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1cccc(OC(F)(F)F)c1)c1ccncc12.
What is the InChIKey of 5-[3-(trifluoromethoxy)phenyl]benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is KPPSBOLAABXXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N2O3/c21-20(22,23)28-13-3-1-2-11(8-13)18-15-6-7-24-10-16(15)14-5-4-12(19(26)27)9-17(14)25-18/h1-10H,(H,26,27).
What are the key properties of 5-[3-(trifluoromethoxy)phenyl]benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-[3-(trifluoromethoxy)phenyl]benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 384.31 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethoxy)phenyl]benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 57398530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).