sodium;6-chloro-4-hydroxy-3-nitrochromen-2-one;hydride

C9H5ClNNaO5 — CID 173461461

IUPACsodium;6-chloro-4-hydroxy-3-nitrochromen-2-one;hydride
SMILESO=c1oc2ccc(Cl)cc2c(O)c1[N+](=O)[O-].[H-].[Na+]
InChIInChI=1S/C9H4ClNO5.Na.H/c10-4-1-2-6-5(3-4)8(12)7(11(14)15)9(13)16-6;;/h1-3,12H;;/q;+1;-1
InChIKeyIEVXAXUHQXJRNV-UHFFFAOYSA-N
MW265.58 g/mol
LogP-0.82
Rot. Bonds1

About sodium;6-chloro-4-hydroxy-3-nitrochromen-2-one;hydride

sodium;6-chloro-4-hydroxy-3-nitrochromen-2-one;hydride (PubChem CID 173461461) has the molecular formula C9H5ClNNaO5 and a molecular weight of 265.58 g/mol. Its IUPAC name is sodium;6-chloro-4-hydroxy-3-nitrochromen-2-one;hydride.

Molecular Properties

Compound Namesodium;6-chloro-4-hydroxy-3-nitrochromen-2-one;hydride
PubChem CID173461461
Molecular FormulaC9H5ClNNaO5
Molecular Weight265.58 g/mol
Exact Mass264.98
IUPAC Namesodium;6-chloro-4-hydroxy-3-nitrochromen-2-one;hydride
SMILESO=c1oc2ccc(Cl)cc2c(O)c1[N+](=O)[O-].[H-].[Na+]
InChIInChI=1S/C9H4ClNO5.Na.H/c10-4-1-2-6-5(3-4)8(12)7(11(14)15)9(13)16-6;;/h1-3,12H;;/q;+1;-1
InChIKeyIEVXAXUHQXJRNV-UHFFFAOYSA-N
XLogP-0.82
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.58
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium 6-chloro-4-hydroxy-3-nitrochromen-2-one
CID 54710981
sodium 6-bromo-4-hydroxy-3-nitrochromen-2-one
CID 54710982
6-chloro-3-[(6-chloro-4-hydroxy-2-oxochromen-3-yl)-(2-nitrophenyl)methyl]-4-hydroxychromen-2-one
CID 90677238
6-chloro-4-hydroxy-3-(2-hydroxyethyl)chromen-2-one
CID 54678507
10-chloro-2-nitronaphtho[2,1-b][1]benzofuran-1-ol
CID 176647139
6-chloro-3-[1-(6-chloro-4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]-4-hydroxychromen-2-one
CID 54678108
7-hydroxy-3,4-dinitrochromen-2-one
CID 87998789
6-chloro-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-4-hydroxychromen-2-one
CID 137316863
methyl 2,2-bis(6-chloro-4-hydroxy-2-oxochromen-3-yl)acetate
CID 54678009
9-chloro-4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide
CID 102329975
4-amino-3,6-dinitrochromen-2-one
CID 4118754
9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione
CID 54705919

Frequently Asked Questions

What is the IUPAC name of sodium;6-chloro-4-hydroxy-3-nitrochromen-2-one;hydride?
The IUPAC name of sodium;6-chloro-4-hydroxy-3-nitrochromen-2-one;hydride (CID 173461461) is sodium;6-chloro-4-hydroxy-3-nitrochromen-2-one;hydride.
What is the SMILES notation for sodium;6-chloro-4-hydroxy-3-nitrochromen-2-one;hydride?
The canonical SMILES for sodium;6-chloro-4-hydroxy-3-nitrochromen-2-one;hydride is O=c1oc2ccc(Cl)cc2c(O)c1[N+](=O)[O-].[H-].[Na+].
What is the InChIKey of sodium;6-chloro-4-hydroxy-3-nitrochromen-2-one;hydride?
The InChIKey is IEVXAXUHQXJRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClNO5.Na.H/c10-4-1-2-6-5(3-4)8(12)7(11(14)15)9(13)16-6;;/h1-3,12H;;/q;+1;-1.
What are the key properties of sodium;6-chloro-4-hydroxy-3-nitrochromen-2-one;hydride?
sodium;6-chloro-4-hydroxy-3-nitrochromen-2-one;hydride has a molecular weight of 265.58 g/mol, XLogP of -0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-chloro-4-hydroxy-3-nitrochromen-2-one;hydride is sourced from PubChem (CID 173461461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).