sodium;hydride;4-nitroaniline

C6H7N2NaO2 — CID 174897540

IUPACsodium;hydride;4-nitroaniline
SMILESNc1ccc([N+](=O)[O-])cc1.[H-].[Na+]
InChIInChI=1S/C6H6N2O2.Na.H/c7-5-1-3-6(4-2-5)8(9)10;;/h1-4H,7H2;;/q;+1;-1
InChIKeyBCSSAMNHVFVNBT-UHFFFAOYSA-N
MW162.12 g/mol
LogP-1.71
Rot. Bonds1

About sodium;hydride;4-nitroaniline

sodium;hydride;4-nitroaniline (PubChem CID 174897540) has the molecular formula C6H7N2NaO2 and a molecular weight of 162.12 g/mol. Its IUPAC name is sodium;hydride;4-nitroaniline.

Molecular Properties

Compound Namesodium;hydride;4-nitroaniline
PubChem CID174897540
Molecular FormulaC6H7N2NaO2
Molecular Weight162.12 g/mol
Exact Mass162.04
IUPAC Namesodium;hydride;4-nitroaniline
SMILESNc1ccc([N+](=O)[O-])cc1.[H-].[Na+]
InChIInChI=1S/C6H6N2O2.Na.H/c7-5-1-3-6(4-2-5)8(9)10;;/h1-4H,7H2;;/q;+1;-1
InChIKeyBCSSAMNHVFVNBT-UHFFFAOYSA-N
XLogP-1.71
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.12
LogP ≤ 5-1.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

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CID 5376981
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4-nitroaniline;4-(trifluoromethyl)aniline
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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-nitroaniline?
The IUPAC name of sodium;hydride;4-nitroaniline (CID 174897540) is sodium;hydride;4-nitroaniline.
What is the SMILES notation for sodium;hydride;4-nitroaniline?
The canonical SMILES for sodium;hydride;4-nitroaniline is Nc1ccc([N+](=O)[O-])cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-nitroaniline?
The InChIKey is BCSSAMNHVFVNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.Na.H/c7-5-1-3-6(4-2-5)8(9)10;;/h1-4H,7H2;;/q;+1;-1.
What are the key properties of sodium;hydride;4-nitroaniline?
sodium;hydride;4-nitroaniline has a molecular weight of 162.12 g/mol, XLogP of -1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-nitroaniline is sourced from PubChem (CID 174897540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).