sodium;4-chloro-2-methyl-5H-indazol-5-ide;sulfuric acid

C8H8ClN2NaO4S — CID 175604939

IUPACsodium;4-chloro-2-methyl-5H-indazol-5-ide;sulfuric acid
SMILESCn1cc2c(Cl)[c-]ccc2n1.O=S(=O)(O)O.[Na+]
InChIInChI=1S/C8H6ClN2.Na.H2O4S/c1-11-5-6-7(9)3-2-4-8(6)10-11;;1-5(2,3)4/h2,4-5H,1H3;;(H2,1,2,3,4)/q-1;+1;
InChIKeyDHRLPZAXUVCRJT-UHFFFAOYSA-N
MW286.67 g/mol
LogP-1.62
Rot. Bonds

About sodium;4-chloro-2-methyl-5H-indazol-5-ide;sulfuric acid

sodium;4-chloro-2-methyl-5H-indazol-5-ide;sulfuric acid (PubChem CID 175604939) has the molecular formula C8H8ClN2NaO4S and a molecular weight of 286.67 g/mol. Its IUPAC name is sodium;4-chloro-2-methyl-5H-indazol-5-ide;sulfuric acid.

Molecular Properties

Compound Namesodium;4-chloro-2-methyl-5H-indazol-5-ide;sulfuric acid
PubChem CID175604939
Molecular FormulaC8H8ClN2NaO4S
Molecular Weight286.67 g/mol
Exact Mass285.98
IUPAC Namesodium;4-chloro-2-methyl-5H-indazol-5-ide;sulfuric acid
SMILESCn1cc2c(Cl)[c-]ccc2n1.O=S(=O)(O)O.[Na+]
InChIInChI=1S/C8H6ClN2.Na.H2O4S/c1-11-5-6-7(9)3-2-4-8(6)10-11;;1-5(2,3)4/h2,4-5H,1H3;;(H2,1,2,3,4)/q-1;+1;
InChIKeyDHRLPZAXUVCRJT-UHFFFAOYSA-N
XLogP-1.62
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;4-chloro-2-methyl-5H-indazol-5-ide;sulfuric acid?
The IUPAC name of sodium;4-chloro-2-methyl-5H-indazol-5-ide;sulfuric acid (CID 175604939) is sodium;4-chloro-2-methyl-5H-indazol-5-ide;sulfuric acid.
What is the SMILES notation for sodium;4-chloro-2-methyl-5H-indazol-5-ide;sulfuric acid?
The canonical SMILES for sodium;4-chloro-2-methyl-5H-indazol-5-ide;sulfuric acid is Cn1cc2c(Cl)[c-]ccc2n1.O=S(=O)(O)O.[Na+].
What is the InChIKey of sodium;4-chloro-2-methyl-5H-indazol-5-ide;sulfuric acid?
The InChIKey is DHRLPZAXUVCRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN2.Na.H2O4S/c1-11-5-6-7(9)3-2-4-8(6)10-11;;1-5(2,3)4/h2,4-5H,1H3;;(H2,1,2,3,4)/q-1;+1;.
What are the key properties of sodium;4-chloro-2-methyl-5H-indazol-5-ide;sulfuric acid?
sodium;4-chloro-2-methyl-5H-indazol-5-ide;sulfuric acid has a molecular weight of 286.67 g/mol, XLogP of -1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-chloro-2-methyl-5H-indazol-5-ide;sulfuric acid is sourced from PubChem (CID 175604939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).