6-chloro-4-hydroxy-3-nitro-1H-quinolin-2-one

C9H5ClN2O4 — CID 54705784

IUPAC6-chloro-4-hydroxy-3-nitro-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(O)c1[N+](=O)[O-]
InChIInChI=1S/C9H5ClN2O4/c10-4-1-2-6-5(3-4)8(13)7(12(15)16)9(14)11-6/h1-3H,(H2,11,13,14)
InChIKeyCZCJLOLVVYAZOZ-UHFFFAOYSA-N
MW240.60 g/mol
LogP1.80
Rot. Bonds1

About 6-chloro-4-hydroxy-3-nitro-1H-quinolin-2-one

6-chloro-4-hydroxy-3-nitro-1H-quinolin-2-one (PubChem CID 54705784) has the molecular formula C9H5ClN2O4 and a molecular weight of 240.60 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-3-nitro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-hydroxy-3-nitro-1H-quinolin-2-one
PubChem CID54705784
Molecular FormulaC9H5ClN2O4
Molecular Weight240.60 g/mol
Exact Mass239.99
IUPAC Name6-chloro-4-hydroxy-3-nitro-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(O)c1[N+](=O)[O-]
InChIInChI=1S/C9H5ClN2O4/c10-4-1-2-6-5(3-4)8(13)7(12(15)16)9(14)11-6/h1-3H,(H2,11,13,14)
InChIKeyCZCJLOLVVYAZOZ-UHFFFAOYSA-N
XLogP1.80
TPSA96.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.60
LogP ≤ 51.80
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-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-hydroxy-3-nitro-1H-quinolin-2-one (CID 54705784) is 6-chloro-4-hydroxy-3-nitro-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-hydroxy-3-nitro-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-hydroxy-3-nitro-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(O)c1[N+](=O)[O-].
What is the InChIKey of 6-chloro-4-hydroxy-3-nitro-1H-quinolin-2-one?
The InChIKey is CZCJLOLVVYAZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O4/c10-4-1-2-6-5(3-4)8(13)7(12(15)16)9(14)11-6/h1-3H,(H2,11,13,14).
What are the key properties of 6-chloro-4-hydroxy-3-nitro-1H-quinolin-2-one?
6-chloro-4-hydroxy-3-nitro-1H-quinolin-2-one has a molecular weight of 240.60 g/mol, XLogP of 1.80, 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-1H-quinolin-2-one is sourced from PubChem (CID 54705784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).