3-nitro-4-(trifluoromethoxy)quinoline

C10H5F3N2O3 — CID 19034873

IUPAC3-nitro-4-(trifluoromethoxy)quinoline
SMILESO=[N+]([O-])c1cnc2ccccc2c1OC(F)(F)F
InChIInChI=1S/C10H5F3N2O3/c11-10(12,13)18-9-6-3-1-2-4-7(6)14-5-8(9)15(16)17/h1-5H
InChIKeyWVPQRQVAEUNWOC-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.04
Rot. Bonds2

About 3-nitro-4-(trifluoromethoxy)quinoline

3-nitro-4-(trifluoromethoxy)quinoline (PubChem CID 19034873) has the molecular formula C10H5F3N2O3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-nitro-4-(trifluoromethoxy)quinoline.

Molecular Properties

Compound Name3-nitro-4-(trifluoromethoxy)quinoline
PubChem CID19034873
Molecular FormulaC10H5F3N2O3
Molecular Weight258.16 g/mol
Exact Mass258.03
IUPAC Name3-nitro-4-(trifluoromethoxy)quinoline
SMILESO=[N+]([O-])c1cnc2ccccc2c1OC(F)(F)F
InChIInChI=1S/C10H5F3N2O3/c11-10(12,13)18-9-6-3-1-2-4-7(6)14-5-8(9)15(16)17/h1-5H
InChIKeyWVPQRQVAEUNWOC-UHFFFAOYSA-N
XLogP3.04
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-nitro-4-(trifluoromethoxy)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-(trifluoromethoxy)quinoline?
The IUPAC name of 3-nitro-4-(trifluoromethoxy)quinoline (CID 19034873) is 3-nitro-4-(trifluoromethoxy)quinoline.
What is the SMILES notation for 3-nitro-4-(trifluoromethoxy)quinoline?
The canonical SMILES for 3-nitro-4-(trifluoromethoxy)quinoline is O=[N+]([O-])c1cnc2ccccc2c1OC(F)(F)F.
What is the InChIKey of 3-nitro-4-(trifluoromethoxy)quinoline?
The InChIKey is WVPQRQVAEUNWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O3/c11-10(12,13)18-9-6-3-1-2-4-7(6)14-5-8(9)15(16)17/h1-5H.
What are the key properties of 3-nitro-4-(trifluoromethoxy)quinoline?
3-nitro-4-(trifluoromethoxy)quinoline has a molecular weight of 258.16 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-(trifluoromethoxy)quinoline is sourced from PubChem (CID 19034873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).