4-nitro-2-(trifluoromethyl)quinoline

C10H5F3N2O2 — CID 19034696

IUPAC4-nitro-2-(trifluoromethyl)quinoline
SMILESO=[N+]([O-])c1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C10H5F3N2O2/c11-10(12,13)9-5-8(15(16)17)6-3-1-2-4-7(6)14-9/h1-5H
InChIKeyWCZYSOLVBJYWBV-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.16
Rot. Bonds1

About 4-nitro-2-(trifluoromethyl)quinoline

4-nitro-2-(trifluoromethyl)quinoline (PubChem CID 19034696) has the molecular formula C10H5F3N2O2 and a molecular weight of 242.16 g/mol. Its IUPAC name is 4-nitro-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-nitro-2-(trifluoromethyl)quinoline
PubChem CID19034696
Molecular FormulaC10H5F3N2O2
Molecular Weight242.16 g/mol
Exact Mass242.03
IUPAC Name4-nitro-2-(trifluoromethyl)quinoline
SMILESO=[N+]([O-])c1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C10H5F3N2O2/c11-10(12,13)9-5-8(15(16)17)6-3-1-2-4-7(6)14-9/h1-5H
InChIKeyWCZYSOLVBJYWBV-UHFFFAOYSA-N
XLogP3.16
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-nitro-2-(trifluoromethyl)quinoline (CID 19034696) is 4-nitro-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-nitro-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-nitro-2-(trifluoromethyl)quinoline is O=[N+]([O-])c1cc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of 4-nitro-2-(trifluoromethyl)quinoline?
The InChIKey is WCZYSOLVBJYWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O2/c11-10(12,13)9-5-8(15(16)17)6-3-1-2-4-7(6)14-9/h1-5H.
What are the key properties of 4-nitro-2-(trifluoromethyl)quinoline?
4-nitro-2-(trifluoromethyl)quinoline has a molecular weight of 242.16 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 19034696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).