nitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium

C8H8N3O6Y- — CID 58164995

IUPACnitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium
SMILESO=[N+]([O-])O.[NH-]C(=O)Cc1ccc([N+](=O)[O-])cc1.[Y]
InChIInChI=1S/C8H8N2O3.HNO3.Y/c9-8(11)5-6-1-3-7(4-2-6)10(12)13;2-1(3)4;/h1-4H,5H2,(H2,9,11);(H,2,3,4);/p-1
InChIKeyHGGYVTULKFEPDQ-UHFFFAOYSA-M
MW331.07 g/mol
LogP1.37
Rot. Bonds3

About nitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium

nitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium (PubChem CID 58164995) has the molecular formula C8H8N3O6Y- and a molecular weight of 331.07 g/mol. Its IUPAC name is nitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium.

Molecular Properties

Compound Namenitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium
PubChem CID58164995
Molecular FormulaC8H8N3O6Y-
Molecular Weight331.07 g/mol
Exact Mass330.95
IUPAC Namenitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium
SMILESO=[N+]([O-])O.[NH-]C(=O)Cc1ccc([N+](=O)[O-])cc1.[Y]
InChIInChI=1S/C8H8N2O3.HNO3.Y/c9-8(11)5-6-1-3-7(4-2-6)10(12)13;2-1(3)4;/h1-4H,5H2,(H2,9,11);(H,2,3,4);/p-1
InChIKeyHGGYVTULKFEPDQ-UHFFFAOYSA-M
XLogP1.37
TPSA147.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.07
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

potassium 2-(4-nitrophenyl)acetate
CID 15261201
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
3-hydroxy-1-(4-nitrophenyl)butan-2-one
CID 90923881
4-(4-nitrophenyl)-3-oxobutanoic acid
CID 90710883
1-(4-nitrophenyl)-2-[4-[4-[2-(4-nitrophenyl)-2-oxoethyl]phenyl]phenyl]ethanone
CID 159718467
5-(4-nitrophenyl)-4-oxopentanoic acid
CID 54077225
zinc;bis(2-(4-nitrophenyl)acetate);bis(propane-1,3-diamine)
CID 139087845
2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide
CID 3575830
N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
CID 2054852
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
3-(4-nitrophenyl)propanoate
CID 6923582
1-(4-fluorophenyl)-2-(4-nitrophenyl)ethanone
CID 23372647

Frequently Asked Questions

What is the IUPAC name of nitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium?
The IUPAC name of nitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium (CID 58164995) is nitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium.
What is the SMILES notation for nitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium?
The canonical SMILES for nitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium is O=[N+]([O-])O.[NH-]C(=O)Cc1ccc([N+](=O)[O-])cc1.[Y].
What is the InChIKey of nitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium?
The InChIKey is HGGYVTULKFEPDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8N2O3.HNO3.Y/c9-8(11)5-6-1-3-7(4-2-6)10(12)13;2-1(3)4;/h1-4H,5H2,(H2,9,11);(H,2,3,4);/p-1.
What are the key properties of nitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium?
nitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium has a molecular weight of 331.07 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium is sourced from PubChem (CID 58164995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).