potassium 2-chloro-4-nitrophenol

C6H4ClKNO3+ — CID 71150199

IUPACpotassium 2-chloro-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(Cl)c1.[K+]
InChIInChI=1S/C6H4ClNO3.K/c7-5-3-4(8(10)11)1-2-6(5)9;/h1-3,9H;/q;+1
InChIKeyZQYQLWUIWFVNQN-UHFFFAOYSA-N
MW212.65 g/mol
LogP-1.04
Rot. Bonds1

About potassium 2-chloro-4-nitrophenol

potassium 2-chloro-4-nitrophenol (PubChem CID 71150199) has the molecular formula C6H4ClKNO3+ and a molecular weight of 212.65 g/mol. Its IUPAC name is potassium 2-chloro-4-nitrophenol.

Molecular Properties

Compound Namepotassium 2-chloro-4-nitrophenol
PubChem CID71150199
Molecular FormulaC6H4ClKNO3+
Molecular Weight212.65 g/mol
Exact Mass211.95
IUPAC Namepotassium 2-chloro-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(Cl)c1.[K+]
InChIInChI=1S/C6H4ClNO3.K/c7-5-3-4(8(10)11)1-2-6(5)9;/h1-3,9H;/q;+1
InChIKeyZQYQLWUIWFVNQN-UHFFFAOYSA-N
XLogP-1.04
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.65
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
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-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
CID 25217158
potassium 2-chloro-4-nitrobenzoic acid
CID 23673793
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
azane;2,4-dinitrophenol;hydrate
CID 174664401
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide
CID 4636309
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzenesulfonamide
CID 3397659
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
1,2-dichloro-4-nitrobenzene;1,2,3-trichloro-5-nitrobenzene
CID 155677930
N-(3-chloro-4-hydroxyphenyl)-2-fluoro-4-nitrobenzamide
CID 63948000
N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide
CID 63936506
N,2-dichloro-4-nitroaniline
CID 57242965
1,2,4-trichloro-5-(2-chloro-4-nitrophenyl)benzene
CID 134628529

Frequently Asked Questions

What is the IUPAC name of potassium 2-chloro-4-nitrophenol?
The IUPAC name of potassium 2-chloro-4-nitrophenol (CID 71150199) is potassium 2-chloro-4-nitrophenol.
What is the SMILES notation for potassium 2-chloro-4-nitrophenol?
The canonical SMILES for potassium 2-chloro-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(Cl)c1.[K+].
What is the InChIKey of potassium 2-chloro-4-nitrophenol?
The InChIKey is ZQYQLWUIWFVNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO3.K/c7-5-3-4(8(10)11)1-2-6(5)9;/h1-3,9H;/q;+1.
What are the key properties of potassium 2-chloro-4-nitrophenol?
potassium 2-chloro-4-nitrophenol has a molecular weight of 212.65 g/mol, XLogP of -1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-chloro-4-nitrophenol is sourced from PubChem (CID 71150199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).