6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one

C10H5F3N2O3 — CID 73240359

IUPAC6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one
SMILESO=C1C=C(C(F)(F)F)C2=CC([N+](=O)[O-])C=CC2=N1
InChIInChI=1S/C10H5F3N2O3/c11-10(12,13)7-4-9(16)14-8-2-1-5(15(17)18)3-6(7)8/h1-5H
InChIKeyJWHHFTASBPGXLD-UHFFFAOYSA-N
MW258.16 g/mol
LogP1.60
Rot. Bonds1

About 6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one

6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one (PubChem CID 73240359) has the molecular formula C10H5F3N2O3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one.

Molecular Properties

Compound Name6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one
PubChem CID73240359
Molecular FormulaC10H5F3N2O3
Molecular Weight258.16 g/mol
Exact Mass258.03
IUPAC Name6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one
SMILESO=C1C=C(C(F)(F)F)C2=CC([N+](=O)[O-])C=CC2=N1
InChIInChI=1S/C10H5F3N2O3/c11-10(12,13)7-4-9(16)14-8-2-1-5(15(17)18)3-6(7)8/h1-5H
InChIKeyJWHHFTASBPGXLD-UHFFFAOYSA-N
XLogP1.60
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 51.60
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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Related Compounds

3-nitro-3H-quinolin-2-one
CID 45025452
4-chloro-6-nitro-6H-quinolin-2-one
CID 76845380
6-nitro-6H-quinolin-2-one
CID 76845642

Frequently Asked Questions

What is the IUPAC name of 6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one?
The IUPAC name of 6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one (CID 73240359) is 6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one.
What is the SMILES notation for 6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one?
The canonical SMILES for 6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one is O=C1C=C(C(F)(F)F)C2=CC([N+](=O)[O-])C=CC2=N1.
What is the InChIKey of 6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one?
The InChIKey is JWHHFTASBPGXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O3/c11-10(12,13)7-4-9(16)14-8-2-1-5(15(17)18)3-6(7)8/h1-5H.
What are the key properties of 6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one?
6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one has a molecular weight of 258.16 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-4-(trifluoromethyl)-6H-quinolin-2-one is sourced from PubChem (CID 73240359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).