dihydroxy(oxo)phosphanium;4-nitroaniline

C6H8N2O5P+ — CID 174379615

IUPACdihydroxy(oxo)phosphanium;4-nitroaniline
SMILESNc1ccc([N+](=O)[O-])cc1.O=[P+](O)O
InChIInChI=1S/C6H6N2O2.HO3P/c7-5-1-3-6(4-2-5)8(9)10;1-4(2)3/h1-4H,7H2;(H-,1,2,3)/p+1
InChIKeyZFGBZWCJBIOGCX-UHFFFAOYSA-O
MW219.11 g/mol
LogP0.81
Rot. Bonds1

About dihydroxy(oxo)phosphanium;4-nitroaniline

dihydroxy(oxo)phosphanium;4-nitroaniline (PubChem CID 174379615) has the molecular formula C6H8N2O5P+ and a molecular weight of 219.11 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;4-nitroaniline.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;4-nitroaniline
PubChem CID174379615
Molecular FormulaC6H8N2O5P+
Molecular Weight219.11 g/mol
Exact Mass219.02
IUPAC Namedihydroxy(oxo)phosphanium;4-nitroaniline
SMILESNc1ccc([N+](=O)[O-])cc1.O=[P+](O)O
InChIInChI=1S/C6H6N2O2.HO3P/c7-5-1-3-6(4-2-5)8(9)10;1-4(2)3/h1-4H,7H2;(H-,1,2,3)/p+1
InChIKeyZFGBZWCJBIOGCX-UHFFFAOYSA-O
XLogP0.81
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methanamine;4-nitroaniline
CID 22708932
sodium;hydride;4-nitroaniline
CID 174897540
arsoric acid;tris(4-nitroaniline)
CID 175201940
4-nitroaniline;perchloric acid
CID 86177986
molecular nitrogen;4-nitroaniline;hydrochloride
CID 175091269
azane;formic acid;4-nitroaniline
CID 175013455
4-nitroaniline;4-(trifluoromethyl)aniline
CID 175448311
1-nitro-4-[tris(4-nitrophenyl)methyl]benzene;4-[tris(4-aminophenyl)methyl]aniline
CID 162034271
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
1-(4-aminophenyl)ethanone;1-(4-nitrophenyl)ethanone
CID 174531319
iodomethane;4-methylaniline;bis(1-methyl-4-nitrobenzene)
CID 160667909
(4-aminophenyl)methyl acetate;(4-nitrophenyl)methyl acetate
CID 159369560

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;4-nitroaniline?
The IUPAC name of dihydroxy(oxo)phosphanium;4-nitroaniline (CID 174379615) is dihydroxy(oxo)phosphanium;4-nitroaniline.
What is the SMILES notation for dihydroxy(oxo)phosphanium;4-nitroaniline?
The canonical SMILES for dihydroxy(oxo)phosphanium;4-nitroaniline is Nc1ccc([N+](=O)[O-])cc1.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;4-nitroaniline?
The InChIKey is ZFGBZWCJBIOGCX-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H6N2O2.HO3P/c7-5-1-3-6(4-2-5)8(9)10;1-4(2)3/h1-4H,7H2;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;4-nitroaniline?
dihydroxy(oxo)phosphanium;4-nitroaniline has a molecular weight of 219.11 g/mol, XLogP of 0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;4-nitroaniline is sourced from PubChem (CID 174379615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).