sodium;3-chloro-6-nitro-2H-indazole;hydride

C7H5ClN3NaO2 — CID 174516913

IUPACsodium;3-chloro-6-nitro-2H-indazole;hydride
SMILESO=[N+]([O-])c1ccc2c(Cl)[nH]nc2c1.[H-].[Na+]
InChIInChI=1S/C7H4ClN3O2.Na.H/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7;;/h1-3H,(H,9,10);;/q;+1;-1
InChIKeyQPKGUAXXHLQUNB-UHFFFAOYSA-N
MW221.58 g/mol
LogP-0.76
Rot. Bonds1

About sodium;3-chloro-6-nitro-2H-indazole;hydride

sodium;3-chloro-6-nitro-2H-indazole;hydride (PubChem CID 174516913) has the molecular formula C7H5ClN3NaO2 and a molecular weight of 221.58 g/mol. Its IUPAC name is sodium;3-chloro-6-nitro-2H-indazole;hydride.

Molecular Properties

Compound Namesodium;3-chloro-6-nitro-2H-indazole;hydride
PubChem CID174516913
Molecular FormulaC7H5ClN3NaO2
Molecular Weight221.58 g/mol
Exact Mass221.00
IUPAC Namesodium;3-chloro-6-nitro-2H-indazole;hydride
SMILESO=[N+]([O-])c1ccc2c(Cl)[nH]nc2c1.[H-].[Na+]
InChIInChI=1S/C7H4ClN3O2.Na.H/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7;;/h1-3H,(H,9,10);;/q;+1;-1
InChIKeyQPKGUAXXHLQUNB-UHFFFAOYSA-N
XLogP-0.76
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.58
LogP ≤ 5-0.76
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

3,4-dichloro-6-nitro-2H-indazole
CID 24728286
5-bromo-3-chloro-6-nitro-2H-indazole
CID 70680679
2,4-dichloro-7-nitroquinazoline
CID 12703362
1,4-dichloro-6-nitrophthalazine
CID 10800302
3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole
CID 159473762
3-(5-nitro-2H-indazol-3-yl)prop-2-ene-1-thiol
CID 169455971
4-(methylamino)-1-(6-nitro-2H-indazol-3-yl)butane-1,2-diol
CID 171891378
N-methyl-3-(5-nitro-2H-indazol-3-yl)prop-2-en-1-amine
CID 169474370
ethane;6-nitroquinoxaline
CID 143926485
6-methyl-3-nitro-2H-indazole
CID 135883511
3,6-dinitroacridine-9-carbonitrile
CID 118429042
2,4-dichloro-6-nitroquinazoline
CID 12703366

Frequently Asked Questions

What is the IUPAC name of sodium;3-chloro-6-nitro-2H-indazole;hydride?
The IUPAC name of sodium;3-chloro-6-nitro-2H-indazole;hydride (CID 174516913) is sodium;3-chloro-6-nitro-2H-indazole;hydride.
What is the SMILES notation for sodium;3-chloro-6-nitro-2H-indazole;hydride?
The canonical SMILES for sodium;3-chloro-6-nitro-2H-indazole;hydride is O=[N+]([O-])c1ccc2c(Cl)[nH]nc2c1.[H-].[Na+].
What is the InChIKey of sodium;3-chloro-6-nitro-2H-indazole;hydride?
The InChIKey is QPKGUAXXHLQUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O2.Na.H/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7;;/h1-3H,(H,9,10);;/q;+1;-1.
What are the key properties of sodium;3-chloro-6-nitro-2H-indazole;hydride?
sodium;3-chloro-6-nitro-2H-indazole;hydride has a molecular weight of 221.58 g/mol, XLogP of -0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-chloro-6-nitro-2H-indazole;hydride is sourced from PubChem (CID 174516913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).