6-chloro-4-hydroxy-3-nitro-5-(trifluoromethyl)-1H-quinolin-2-one

C10H4ClF3N2O4 — CID 54696476

IUPAC6-chloro-4-hydroxy-3-nitro-5-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)c(C(F)(F)F)c2c(O)c1[N+](=O)[O-]
InChIInChI=1S/C10H4ClF3N2O4/c11-3-1-2-4-5(6(3)10(12,13)14)8(17)7(16(19)20)9(18)15-4/h1-2H,(H2,15,17,18)
InChIKeyADVNTQWAGAXKES-UHFFFAOYSA-N
MW308.60 g/mol
LogP2.81
Rot. Bonds1

About 6-chloro-4-hydroxy-3-nitro-5-(trifluoromethyl)-1H-quinolin-2-one

6-chloro-4-hydroxy-3-nitro-5-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 54696476) has the molecular formula C10H4ClF3N2O4 and a molecular weight of 308.60 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-3-nitro-5-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-hydroxy-3-nitro-5-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID54696476
Molecular FormulaC10H4ClF3N2O4
Molecular Weight308.60 g/mol
Exact Mass307.98
IUPAC Name6-chloro-4-hydroxy-3-nitro-5-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)c(C(F)(F)F)c2c(O)c1[N+](=O)[O-]
InChIInChI=1S/C10H4ClF3N2O4/c11-3-1-2-4-5(6(3)10(12,13)14)8(17)7(16(19)20)9(18)15-4/h1-2H,(H2,15,17,18)
InChIKeyADVNTQWAGAXKES-UHFFFAOYSA-N
XLogP2.81
TPSA96.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.60
LogP ≤ 52.81
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-3-nitro-5-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-hydroxy-3-nitro-5-(trifluoromethyl)-1H-quinolin-2-one (CID 54696476) is 6-chloro-4-hydroxy-3-nitro-5-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-hydroxy-3-nitro-5-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-hydroxy-3-nitro-5-(trifluoromethyl)-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)c(C(F)(F)F)c2c(O)c1[N+](=O)[O-].
What is the InChIKey of 6-chloro-4-hydroxy-3-nitro-5-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is ADVNTQWAGAXKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3N2O4/c11-3-1-2-4-5(6(3)10(12,13)14)8(17)7(16(19)20)9(18)15-4/h1-2H,(H2,15,17,18).
What are the key properties of 6-chloro-4-hydroxy-3-nitro-5-(trifluoromethyl)-1H-quinolin-2-one?
6-chloro-4-hydroxy-3-nitro-5-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 308.60 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-3-nitro-5-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 54696476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).