potassium 2-chloro-4-nitrobenzoic acid

C7H4ClKNO4+ — CID 23673793

IUPACpotassium 2-chloro-4-nitrobenzoic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])cc1Cl.[K+]
InChIInChI=1S/C7H4ClNO4.K/c8-6-3-4(9(12)13)1-2-5(6)7(10)11;/h1-3H,(H,10,11);/q;+1
InChIKeyRFOMKRIDPCCWRA-UHFFFAOYSA-N
MW240.66 g/mol
LogP-1.05
Rot. Bonds2

About potassium 2-chloro-4-nitrobenzoic acid

potassium 2-chloro-4-nitrobenzoic acid (PubChem CID 23673793) has the molecular formula C7H4ClKNO4+ and a molecular weight of 240.66 g/mol. Its IUPAC name is potassium 2-chloro-4-nitrobenzoic acid.

Molecular Properties

Compound Namepotassium 2-chloro-4-nitrobenzoic acid
PubChem CID23673793
Molecular FormulaC7H4ClKNO4+
Molecular Weight240.66 g/mol
Exact Mass239.95
IUPAC Namepotassium 2-chloro-4-nitrobenzoic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])cc1Cl.[K+]
InChIInChI=1S/C7H4ClNO4.K/c8-6-3-4(9(12)13)1-2-5(6)7(10)11;/h1-3H,(H,10,11);/q;+1
InChIKeyRFOMKRIDPCCWRA-UHFFFAOYSA-N
XLogP-1.05
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 5-1.05
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'}

Analyze potassium 2-chloro-4-nitrobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 161054765
CID 161054765
2-chloro-4-(4-nitrophenoxy)benzoic acid
CID 62944604
bis(4-nitrophthalic acid);zirconium
CID 5176883
2-[carboxymethyl-(2-chloro-4-nitrobenzoyl)amino]acetic acid
CID 63651342
4-chloro-2-(2-chloro-4-nitrophenoxy)benzoic acid
CID 61395911
2-(4-chlorophenyl)-4-nitrobenzoic acid
CID 53225851
[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-phenylmethanone
CID 7936754
potassium 2-chloro-4-nitrophenol
CID 71150199
2-cyano-4-nitrobenzoic acid
CID 14468708
2-(carboxymethyl)-4-nitrobenzoic acid
CID 7172025
2-[(2-carboxy-5-nitrophenyl)disulfanyl]-4-nitrobenzoic acid
CID 22227745
ethane;2-hydroxy-4-nitrobenzoic acid
CID 143615987

Frequently Asked Questions

What is the IUPAC name of potassium 2-chloro-4-nitrobenzoic acid?
The IUPAC name of potassium 2-chloro-4-nitrobenzoic acid (CID 23673793) is potassium 2-chloro-4-nitrobenzoic acid.
What is the SMILES notation for potassium 2-chloro-4-nitrobenzoic acid?
The canonical SMILES for potassium 2-chloro-4-nitrobenzoic acid is O=C(O)c1ccc([N+](=O)[O-])cc1Cl.[K+].
What is the InChIKey of potassium 2-chloro-4-nitrobenzoic acid?
The InChIKey is RFOMKRIDPCCWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO4.K/c8-6-3-4(9(12)13)1-2-5(6)7(10)11;/h1-3H,(H,10,11);/q;+1.
What are the key properties of potassium 2-chloro-4-nitrobenzoic acid?
potassium 2-chloro-4-nitrobenzoic acid has a molecular weight of 240.66 g/mol, XLogP of -1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-chloro-4-nitrobenzoic acid is sourced from PubChem (CID 23673793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).