[(Z)-C-dimethoxyphosphoryl-N-(2,4-dinitroanilino)carbonimidoyl]-methoxyphosphinic acid

C10H14N4O10P2 — CID 10094435

IUPAC[(Z)-C-dimethoxyphosphoryl-N-(2,4-dinitroanilino)carbonimidoyl]-methoxyphosphinic acid
SMILESCOP(=O)(O)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])P(=O)(OC)OC
InChIInChI=1S/C10H14N4O10P2/c1-22-25(19,20)10(26(21,23-2)24-3)12-11-8-5-4-7(13(15)16)6-9(8)14(17)18/h4-6,11H,1-3H3,(H,19,20)/b12-10-
InChIKeyZVMADYQJAVFOJV-BENRWUELSA-N
MW412.19 g/mol
LogP2.50
Rot. Bonds9

About [(Z)-C-dimethoxyphosphoryl-N-(2,4-dinitroanilino)carbonimidoyl]-methoxyphosphinic acid

[(Z)-C-dimethoxyphosphoryl-N-(2,4-dinitroanilino)carbonimidoyl]-methoxyphosphinic acid (PubChem CID 10094435) has the molecular formula C10H14N4O10P2 and a molecular weight of 412.19 g/mol. Its IUPAC name is [(Z)-C-dimethoxyphosphoryl-N-(2,4-dinitroanilino)carbonimidoyl]-methoxyphosphinic acid.

Molecular Properties

Compound Name[(Z)-C-dimethoxyphosphoryl-N-(2,4-dinitroanilino)carbonimidoyl]-methoxyphosphinic acid
PubChem CID10094435
Molecular FormulaC10H14N4O10P2
Molecular Weight412.19 g/mol
Exact Mass412.02
IUPAC Name[(Z)-C-dimethoxyphosphoryl-N-(2,4-dinitroanilino)carbonimidoyl]-methoxyphosphinic acid
SMILESCOP(=O)(O)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])P(=O)(OC)OC
InChIInChI=1S/C10H14N4O10P2/c1-22-25(19,20)10(26(21,23-2)24-3)12-11-8-5-4-7(13(15)16)6-9(8)14(17)18/h4-6,11H,1-3H3,(H,19,20)/b12-10-
InChIKeyZVMADYQJAVFOJV-BENRWUELSA-N
XLogP2.50
TPSA192.73 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.19
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

N-[bis(dimethoxyphosphoryl)methylideneamino]-2,4-dinitroaniline
CID 10455130
N-[(E)-4-methoxybutan-2-ylideneamino]-2,4-dinitroaniline
CID 121223043
methyl 3-bromo-2-[(2,4-dinitrophenyl)hydrazinylidene]propanoate
CID 151575271
(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol
CID 171042675
dimethyl (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]butanedioate
CID 5378691
dimethyl (E,4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]pent-2-enedioate
CID 23265733
(3E)-3-[(2,4-dinitrophenyl)hydrazinylidene]-2-methylbutan-2-ol
CID 13440229
N-[(E)-[(6Z)-6-[(2,4-dinitrophenyl)hydrazinylidene]heptan-2-ylidene]amino]-2,4-dinitroaniline
CID 21233704
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2,4-dinitroaniline
CID 139082946
2,4-dinitro-N-(1-phenylethylideneamino)aniline
CID 15503
N-(2,4-dinitrophenyl)nitrous amide
CID 54504418
N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,4-dinitroaniline
CID 3493756

Frequently Asked Questions

What is the IUPAC name of [(Z)-C-dimethoxyphosphoryl-N-(2,4-dinitroanilino)carbonimidoyl]-methoxyphosphinic acid?
The IUPAC name of [(Z)-C-dimethoxyphosphoryl-N-(2,4-dinitroanilino)carbonimidoyl]-methoxyphosphinic acid (CID 10094435) is [(Z)-C-dimethoxyphosphoryl-N-(2,4-dinitroanilino)carbonimidoyl]-methoxyphosphinic acid.
What is the SMILES notation for [(Z)-C-dimethoxyphosphoryl-N-(2,4-dinitroanilino)carbonimidoyl]-methoxyphosphinic acid?
The canonical SMILES for [(Z)-C-dimethoxyphosphoryl-N-(2,4-dinitroanilino)carbonimidoyl]-methoxyphosphinic acid is COP(=O)(O)/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])P(=O)(OC)OC.
What is the InChIKey of [(Z)-C-dimethoxyphosphoryl-N-(2,4-dinitroanilino)carbonimidoyl]-methoxyphosphinic acid?
The InChIKey is ZVMADYQJAVFOJV-BENRWUELSA-N. The full InChI is InChI=1S/C10H14N4O10P2/c1-22-25(19,20)10(26(21,23-2)24-3)12-11-8-5-4-7(13(15)16)6-9(8)14(17)18/h4-6,11H,1-3H3,(H,19,20)/b12-10-.
What are the key properties of [(Z)-C-dimethoxyphosphoryl-N-(2,4-dinitroanilino)carbonimidoyl]-methoxyphosphinic acid?
[(Z)-C-dimethoxyphosphoryl-N-(2,4-dinitroanilino)carbonimidoyl]-methoxyphosphinic acid has a molecular weight of 412.19 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-C-dimethoxyphosphoryl-N-(2,4-dinitroanilino)carbonimidoyl]-methoxyphosphinic acid is sourced from PubChem (CID 10094435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).