[2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid

C6H7N4O7P — CID 23421481

IUPAC[2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid
SMILESO=[N+]([O-])c1ccc(NNP(=O)(O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C6H7N4O7P/c11-9(12)4-1-2-5(6(3-4)10(13)14)7-8-18(15,16)17/h1-3,7H,(H3,8,15,16,17)
InChIKeySUZCEHJKKNTVMF-UHFFFAOYSA-N
MW278.12 g/mol
LogP0.51
Rot. Bonds5

About [2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid

[2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid (PubChem CID 23421481) has the molecular formula C6H7N4O7P and a molecular weight of 278.12 g/mol. Its IUPAC name is [2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid.

Molecular Properties

Compound Name[2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid
PubChem CID23421481
Molecular FormulaC6H7N4O7P
Molecular Weight278.12 g/mol
Exact Mass278.01
IUPAC Name[2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid
SMILESO=[N+]([O-])c1ccc(NNP(=O)(O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C6H7N4O7P/c11-9(12)4-1-2-5(6(3-4)10(13)14)7-8-18(15,16)17/h1-3,7H,(H3,8,15,16,17)
InChIKeySUZCEHJKKNTVMF-UHFFFAOYSA-N
XLogP0.51
TPSA167.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

(2,4-dinitrophenyl)carbamic acid
CID 154114547
N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide
CID 4507199
N-(2,4-dinitrophenyl)nitrous amide
CID 54504418
(2,4-dinitrophenyl)cyanamide
CID 12679048
benzene;(2,4-dinitrophenyl)hydrazine
CID 159646359
(2,4-dinitrophenyl)hydrazine;propan-2-one
CID 162068337
2-(2,4-dinitroanilino)acetate
CID 4738135
1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714
N'-(2,4-dinitrophenyl)methanediamine
CID 23597616
N-[bis(dimethoxyphosphoryl)methylideneamino]-2,4-dinitroaniline
CID 10455130
1-(2,4-dinitrophenyl)-3-nitrourea
CID 12548690
N-(2,4-dinitrophenyl)pyridin-1-ium-1-amine
CID 101076913

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid?
The IUPAC name of [2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid (CID 23421481) is [2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid.
What is the SMILES notation for [2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid?
The canonical SMILES for [2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid is O=[N+]([O-])c1ccc(NNP(=O)(O)O)c([N+](=O)[O-])c1.
What is the InChIKey of [2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid?
The InChIKey is SUZCEHJKKNTVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N4O7P/c11-9(12)4-1-2-5(6(3-4)10(13)14)7-8-18(15,16)17/h1-3,7H,(H3,8,15,16,17).
What are the key properties of [2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid?
[2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid has a molecular weight of 278.12 g/mol, XLogP of 0.51, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid is sourced from PubChem (CID 23421481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).