6-chloro-4-hydroxy-5-nitro-3-nitroso-7-(trifluoromethyl)-1H-quinolin-2-one

C10H3ClF3N3O5 — CID 135854584

IUPAC6-chloro-4-hydroxy-5-nitro-3-nitroso-7-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=Nc1c(O)c2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[nH]c1=O
InChIInChI=1S/C10H3ClF3N3O5/c11-5-2(10(12,13)14)1-3-4(7(5)17(21)22)8(18)6(16-20)9(19)15-3/h1H,(H2,15,18,19)
InChIKeyOEEPOBHZMIMOAR-UHFFFAOYSA-N
MW337.60 g/mol
LogP3.21
Rot. Bonds2

About 6-chloro-4-hydroxy-5-nitro-3-nitroso-7-(trifluoromethyl)-1H-quinolin-2-one

6-chloro-4-hydroxy-5-nitro-3-nitroso-7-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 135854584) has the molecular formula C10H3ClF3N3O5 and a molecular weight of 337.60 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-5-nitro-3-nitroso-7-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-hydroxy-5-nitro-3-nitroso-7-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID135854584
Molecular FormulaC10H3ClF3N3O5
Molecular Weight337.60 g/mol
Exact Mass336.97
IUPAC Name6-chloro-4-hydroxy-5-nitro-3-nitroso-7-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=Nc1c(O)c2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[nH]c1=O
InChIInChI=1S/C10H3ClF3N3O5/c11-5-2(10(12,13)14)1-3-4(7(5)17(21)22)8(18)6(16-20)9(19)15-3/h1H,(H2,15,18,19)
InChIKeyOEEPOBHZMIMOAR-UHFFFAOYSA-N
XLogP3.21
TPSA125.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

6-Chloro-4-hydroxy-3-nitroquinolin-2(1H)-one
CID 54705784
(3Z)-6-chloro-3-[(3-nitrophenyl)hydrazono]-1H-quinoline-2,4-dione
CID 136239478
6-chloro-5-hydroxy-7-nitro-8-(trifluoromethyl)-1H-1-benzazepine-2,3-dione
CID 54240221
7-chloro-8-fluoro-5-hydroxy-6-nitro-1H-1-benzazepine-2,3-dione
CID 54570629
6-fluoro-4-hydroxy-3,5-dinitro-7-(trifluoromethyl)-1H-quinolin-2-one
CID 54696447
6-chloro-4-hydroxy-3-nitro-5,7-bis(trifluoromethyl)-1H-quinolin-2-one
CID 54696456
5-chloro-4-hydroxy-3-nitro-7-(trifluoromethyl)-1H-quinolin-2-one
CID 54696457
6-chloro-4-hydroxy-3-nitro-7-(trifluoromethyl)-1H-quinolin-2-one
CID 54696467
5-chloro-4-hydroxy-3,6-dinitro-7-(trifluoromethyl)-1H-quinolin-2-one
CID 54696473
6-chloro-4-hydroxy-3-nitro-5-(trifluoromethyl)-1H-quinolin-2-one
CID 54696476
6-chloro-4-hydroxy-3,5-dinitro-7-(trifluoromethyl)-1H-quinolin-2-one
CID 54696484
6-chloro-5-hydroxy-9-nitro-8-(trifluoromethyl)-1H-1-benzazepine-2,3-dione
CID 56979068

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-5-nitro-3-nitroso-7-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-hydroxy-5-nitro-3-nitroso-7-(trifluoromethyl)-1H-quinolin-2-one (CID 135854584) is 6-chloro-4-hydroxy-5-nitro-3-nitroso-7-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-hydroxy-5-nitro-3-nitroso-7-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-hydroxy-5-nitro-3-nitroso-7-(trifluoromethyl)-1H-quinolin-2-one is O=Nc1c(O)c2c([N+](=O)[O-])c(Cl)c(C(F)(F)F)cc2[nH]c1=O.
What is the InChIKey of 6-chloro-4-hydroxy-5-nitro-3-nitroso-7-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is OEEPOBHZMIMOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3ClF3N3O5/c11-5-2(10(12,13)14)1-3-4(7(5)17(21)22)8(18)6(16-20)9(19)15-3/h1H,(H2,15,18,19).
What are the key properties of 6-chloro-4-hydroxy-5-nitro-3-nitroso-7-(trifluoromethyl)-1H-quinolin-2-one?
6-chloro-4-hydroxy-5-nitro-3-nitroso-7-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 337.60 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-5-nitro-3-nitroso-7-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 135854584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).