6-chloro-3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one

C6H2ClF3N2O3 — CID 14126936

IUPAC6-chloro-3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H2ClF3N2O3/c7-4-2(6(8,9)10)1-3(12(14)15)5(13)11-4/h1H,(H,11,13)
InChIKeyDJDONCWQQHGEAC-UHFFFAOYSA-N
MW242.54 g/mol
LogP1.96
Rot. Bonds1

About 6-chloro-3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one

6-chloro-3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 14126936) has the molecular formula C6H2ClF3N2O3 and a molecular weight of 242.54 g/mol. Its IUPAC name is 6-chloro-3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID14126936
Molecular FormulaC6H2ClF3N2O3
Molecular Weight242.54 g/mol
Exact Mass241.97
IUPAC Name6-chloro-3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H2ClF3N2O3/c7-4-2(6(8,9)10)1-3(12(14)15)5(13)11-4/h1H,(H,11,13)
InChIKeyDJDONCWQQHGEAC-UHFFFAOYSA-N
XLogP1.96
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.54
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one 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 6-chloro-3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-chloro-3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one (CID 14126936) is 6-chloro-3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-chloro-3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(Cl)c(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is DJDONCWQQHGEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3N2O3/c7-4-2(6(8,9)10)1-3(12(14)15)5(13)11-4/h1H,(H,11,13).
What are the key properties of 6-chloro-3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one?
6-chloro-3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 242.54 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 14126936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).